
 BDBM82141

 60 65  0  0  0  0  0  0  0  0999 V2000
    5.0565    3.0203    0.7173 C   0  0  0  0  0
    4.1506    3.9736    0.0100 C   0  0  0  0  0
    3.4992    3.8175   -1.1752 C   0  0  0  0  0
    2.7340    5.0870   -1.4676 C   0  0  0  0  0
    2.5059    5.7279   -2.8075 C   0  0  0  0  0
    2.2174    7.0536   -2.8049 C   0  0  0  0  0
    2.1626    7.8052   -1.5383 C   0  0  0  0  0
    2.8374    7.3508   -0.4600 C   0  0  0  0  0
    3.6041    6.0857   -0.6762 C   0  0  0  0  0
    4.0266    5.2979    0.4728 N   0  0  0  0  0
    3.5386    5.7675    1.7800 C   0  0  0  0  0
    3.6406    7.3208    1.7579 C   0  0  0  0  0
    2.7686    7.9410    0.7871 O   0  0  0  0  0
    2.0624    5.3638    2.1136 C   0  0  0  0  0
    1.7448    3.9246    2.2535 N   0  0  0  0  0
    2.4463    3.2661    3.3741 C   0  0  0  0  0
    1.8956    3.6169    4.7648 C   0  0  0  0  0
    0.4933    3.3442    4.8546 O   0  0  0  0  0
   -0.2284    4.0613    3.8460 C   0  0  0  0  0
    0.2866    3.7165    2.4366 C   0  0  0  0  0
    3.3181    2.6116   -2.0201 C   0  0  0  0  0
    3.1855    2.7380   -3.2356 O   0  0  0  0  0
    3.1933    1.2642   -1.3788 C   0  0  0  0  0
    2.5031    1.1842   -0.1560 C   0  0  0  0  0
    2.3583   -0.0299    0.5048 C   0  0  0  0  0
    2.8571   -1.1903   -0.0731 C   0  0  0  0  0
    3.4965   -1.1595   -1.3214 C   0  0  0  0  0
    3.9373   -2.3620   -1.8963 C   0  0  0  0  0
    4.5586   -2.3779   -3.1420 C   0  0  0  0  0
    4.7656   -1.1856   -3.8191 C   0  0  0  0  0
    4.3444    0.0223   -3.2533 C   0  0  0  0  0
    3.6822    0.0768   -2.0002 C   0  0  0  0  0
    5.8909    3.5594    1.1799 H   0  0  0  0  0
    5.4963    2.2947    0.0267 H   0  0  0  0  0
    4.5289    2.4783    1.5041 H   0  0  0  0  0
    1.7409    4.9434   -1.0109 H   0  0  0  0  0
    2.5130    5.1417   -3.7189 H   0  0  0  0  0
    1.9944    7.5853   -3.7248 H   0  0  0  0  0
    1.5630    8.7077   -1.4963 H   0  0  0  0  0
    4.5235    6.3481   -1.2277 H   0  0  0  0  0
    4.2124    5.4011    2.5619 H   0  0  0  0  0
    4.6695    7.6418    1.5515 H   0  0  0  0  0
    3.3646    7.7255    2.7381 H   0  0  0  0  0
    1.4158    5.7553    1.3192 H   0  0  0  0  0
    1.7710    5.8977    3.0264 H   0  0  0  0  0
    3.5216    3.4605    3.3435 H   0  0  0  0  0
    2.3347    2.1836    3.2269 H   0  0  0  0  0
    2.3977    3.0043    5.5207 H   0  0  0  0  0
    2.0783    4.6672    5.0183 H   0  0  0  0  0
   -1.2820    3.7769    3.9333 H   0  0  0  0  0
   -0.1620    5.1356    4.0522 H   0  0  0  0  0
    0.0844    2.6542    2.2479 H   0  0  0  0  0
   -0.2830    4.2711    1.6818 H   0  0  0  0  0
    2.0704    2.0705    0.2996 H   0  0  0  0  0
    1.8463   -0.0702    1.4626 H   0  0  0  0  0
    2.7254   -2.1333    0.4544 H   0  0  0  0  0
    3.7855   -3.3087   -1.3798 H   0  0  0  0  0
    4.8770   -3.3195   -3.5812 H   0  0  0  0  0
    5.2465   -1.1869   -4.7938 H   0  0  0  0  0
    4.5270    0.9290   -3.8262 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3 21  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 36  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7 39  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 12 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 46  1  0  0  0
 16 47  1  0  0  0
 17 18  1  0  0  0
 17 48  1  0  0  0
 17 49  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 50  1  0  0  0
 19 51  1  0  0  0
 20 52  1  0  0  0
 20 53  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 32  1  0  0  0
 24 25  1  0  0  0
 24 54  1  0  0  0
 25 26  2  0  0  0
 25 55  1  0  0  0
 26 27  1  0  0  0
 26 56  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 57  1  0  0  0
 29 30  2  0  0  0
 29 58  1  0  0  0
 30 31  1  0  0  0
 30 59  1  0  0  0
 31 32  2  0  0  0
 31 60  1  0  0  0
M  END

>  <Chemical Name>
BDBM82141

>  <PubChem CID>
54592384

>  <Formula>
C27H28N2O3

>  <Molecular Weight>
428.532000

>  <IUPAC Name>


>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C2C=CC=C3C2N1C(CO3)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65

>  <Isomeric SMILES>
CC1=C(C2C=CC=C3C2N1[C@@H](CO3)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65

>  <InChI Std. ID>
InChI=1S/C27H28N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20,23,26H,12-17H2,1H3/t20-,23?,26?/m1/s1

>  <InChI Key>
AXLOUOMLETWQQL-GZSFQLOGSA-N

