
 CHEMBL2172458

 77 78  0  0  0  0  0  0  0  0999 V2000
   11.2334   11.0085    9.3796 C   0  0  0  0  0
   10.5257   10.5386    8.1188 C   0  0  0  0  0
    9.3628    9.5830    8.4026 C   0  0  0  0  0
    9.7625    8.2123    8.9659 C   0  0  0  0  0
   10.6274    7.4205    7.9839 C   0  0  0  0  0
   10.8969    5.9893    8.4504 C   0  0  0  0  0
   11.9000    5.2488    7.5523 C   0  0  0  0  0
   11.3270    4.7017    6.2410 C   0  0  0  0  0
   10.8678    5.7138    5.3216 N   0  0  0  0  0
   11.6864    6.4153    4.4935 C   0  0  0  0  0
   12.8833    6.2338    4.3540 O   0  0  0  0  0
   10.9474    7.3504    3.8575 O   0  0  0  0  0
   11.6509    8.2599    2.9857 C   0  0  0  0  0
   10.8140    8.5014    1.7098 C   0  0  0  0  0
    9.5719    9.0873    2.1587 O   0  0  0  0  0
    8.5989    9.1761    1.1297 C   0  0  0  0  0
   11.4060    9.3979    0.7853 O   0  0  0  0  0
   12.8161    9.1460   -0.0669 Si  0  0  0  0  0
   12.7817   10.5806   -1.3457 C   0  0  0  0  0
   13.9517   11.2115   -1.7976 C   0  0  0  0  0
   13.8806   12.2770   -2.7001 C   0  0  0  0  0
   12.6456   12.7245   -3.1662 C   0  0  0  0  0
   11.4764   12.1064   -2.7348 C   0  0  0  0  0
   11.5416   11.0429   -1.8329 C   0  0  0  0  0
   14.2350    9.6052    1.0958 C   0  0  0  0  0
   14.0481   10.6422    2.0340 C   0  0  0  0  0
   15.0613   11.0076    2.9244 C   0  0  0  0  0
   16.2909   10.3601    2.8867 C   0  0  0  0  0
   16.5030    9.3421    1.9619 C   0  0  0  0  0
   15.4840    8.9645    1.0814 C   0  0  0  0  0
   12.9564    7.4169   -1.0502 C   0  0  0  0  0
   14.2471    7.3285   -1.9029 C   0  0  0  0  0
   12.9384    6.2164   -0.0778 C   0  0  0  0  0
   11.7614    7.2789   -2.0275 C   0  0  0  0  0
   12.0298   11.7141    9.1225 H   0  0  0  0  0
   11.6886   10.1757    9.9228 H   0  0  0  0  0
   10.5343   11.5189   10.0499 H   0  0  0  0  0
   11.2516   10.0801    7.4389 H   0  0  0  0  0
   10.1322   11.4177    7.5945 H   0  0  0  0  0
    8.8082    9.4288    7.4680 H   0  0  0  0  0
    8.6645   10.0621    9.0993 H   0  0  0  0  0
    8.8451    7.6478    9.1745 H   0  0  0  0  0
   10.2834    8.3265    9.9228 H   0  0  0  0  0
   11.5863    7.9299    7.8420 H   0  0  0  0  0
   10.1155    7.4108    7.0194 H   0  0  0  0  0
    9.9596    5.4245    8.5183 H   0  0  0  0  0
   11.3158    6.0283    9.4643 H   0  0  0  0  0
   12.2808    4.3904    8.1207 H   0  0  0  0  0
   12.7636    5.8939    7.3502 H   0  0  0  0  0
   10.4791    4.0397    6.4429 H   0  0  0  0  0
   12.1005    4.1125    5.7358 H   0  0  0  0  0
    9.9104    6.0356    5.3565 H   0  0  0  0  0
   12.6423    7.8802    2.7287 H   0  0  0  0  0
   11.7741    9.2014    3.5332 H   0  0  0  0  0
   10.5665    7.5458    1.2351 H   0  0  0  0  0
    8.9527    9.7946    0.3002 H   0  0  0  0  0
    7.7043    9.6471    1.5473 H   0  0  0  0  0
    8.3297    8.1787    0.7706 H   0  0  0  0  0
   14.9318   10.8983   -1.4424 H   0  0  0  0  0
   14.7923   12.7672   -3.0316 H   0  0  0  0  0
   12.5942   13.5598   -3.8592 H   0  0  0  0  0
   10.5105   12.4570   -3.0891 H   0  0  0  0  0
   10.6102   10.5889   -1.5006 H   0  0  0  0  0
   13.1001   11.1789    2.0869 H   0  0  0  0  0
   14.8870   11.8004    3.6471 H   0  0  0  0  0
   17.0804   10.6442    3.5752 H   0  0  0  0  0
   17.4635    8.8338    1.9266 H   0  0  0  0  0
   15.7041    8.1570    0.3943 H   0  0  0  0  0
   14.4010    8.2209   -2.5178 H   0  0  0  0  0
   14.2065    6.4677   -2.5821 H   0  0  0  0  0
   15.1399    7.1821   -1.2916 H   0  0  0  0  0
   11.9670    6.1018    0.4113 H   0  0  0  0  0
   13.6979    6.3135    0.7054 H   0  0  0  0  0
   13.1343    5.2787   -0.6118 H   0  0  0  0  0
   10.7990    7.3651   -1.5117 H   0  0  0  0  0
   11.7802    6.3049   -2.5318 H   0  0  0  0  0
   11.7940    8.0460   -2.8107 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4 42  1  0  0  0
  4 43  1  0  0  0
  5  6  1  0  0  0
  5 44  1  0  0  0
  5 45  1  0  0  0
  6  7  1  0  0  0
  6 46  1  0  0  0
  6 47  1  0  0  0
  7  8  1  0  0  0
  7 48  1  0  0  0
  7 49  1  0  0  0
  8  9  1  0  0  0
  8 50  1  0  0  0
  8 51  1  0  0  0
  9 10  1  0  0  0
  9 52  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 53  1  0  0  0
 13 54  1  0  0  0
 14 17  1  0  0  0
 14 15  1  0  0  0
 14 55  1  0  0  0
 15 16  1  0  0  0
 16 56  1  0  0  0
 16 57  1  0  0  0
 16 58  1  0  0  0
 17 18  1  0  0  0
 18 31  1  0  0  0
 18 25  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 59  1  0  0  0
 21 22  2  0  0  0
 21 60  1  0  0  0
 22 23  1  0  0  0
 22 61  1  0  0  0
 23 24  2  0  0  0
 23 62  1  0  0  0
 24 63  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 64  1  0  0  0
 27 28  2  0  0  0
 27 65  1  0  0  0
 28 29  1  0  0  0
 28 66  1  0  0  0
 29 30  2  0  0  0
 29 67  1  0  0  0
 30 68  1  0  0  0
 31 34  1  0  0  0
 31 33  1  0  0  0
 31 32  1  0  0  0
 32 69  1  0  0  0
 32 70  1  0  0  0
 32 71  1  0  0  0
 33 72  1  0  0  0
 33 73  1  0  0  0
 33 74  1  0  0  0
 34 75  1  0  0  0
 34 76  1  0  0  0
 34 77  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2172458

>  <PubChem CID>
71458951

>  <Formula>
C28H43NO4Si

>  <Molecular Weight>
485.740000

>  <IUPAC Name>
[2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCCCCNC(=O)OCC(OC)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C

>  <Isomeric SMILES>
CCCCCCCCNC(=O)OCC(OC)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C28H43NO4Si/c1-6-7-8-9-10-17-22-29-27(30)32-23-26(31-5)33-34(28(2,3)4,24-18-13-11-14-19-24)25-20-15-12-16-21-25/h11-16,18-21,26H,6-10,17,22-23H2,1-5H3,(H,29,30)

>  <InChI Key>
FAQROORDHIPZBC-UHFFFAOYSA-N

