
 CHEMBL2010905

 53 55  0  0  0  0  0  0  0  0999 V2000
    1.7294    5.0745   -0.2325 C   0  0  0  0  0
    3.1811    4.7101   -0.5016 C   0  0  0  0  0
    3.4481    3.2328   -0.2247 C   0  0  0  0  0
    4.8004    2.8598   -0.5869 N   0  0  0  0  0
    5.8657    2.9279    0.2828 C   0  0  0  0  0
    5.7427    3.2256    1.4681 O   0  0  0  0  0
    7.1617    2.5377   -0.2922 C   0  0  0  0  0
    8.1475    1.9268    0.4835 C   0  0  0  0  0
    9.5494    1.5706   -0.4116 S   0  0  0  0  0
    8.9182    2.2399   -1.8233 C   0  0  0  0  0
    7.6327    2.7210   -1.6587 C   0  0  0  0  0
    6.9829    3.4101   -2.8285 C   0  0  0  0  0
    7.7174    3.0546   -4.1337 C   0  0  0  0  0
    9.1303    3.2371   -3.9841 O   0  0  0  0  0
    9.7124    2.2695   -3.0906 C   0  0  0  0  0
    8.0926    1.6337    1.8460 N   0  0  0  0  0
    8.9802    0.8201    2.5389 C   0  0  0  0  0
    9.8979    0.1803    2.0527 O   0  0  0  0  0
    8.6964    0.7267    4.0153 C   0  0  0  0  0
    9.1240   -0.4808    4.8630 C   0  0  0  0  0
    9.7760    0.8973    5.0885 C   0  0  0  0  0
   11.2189    1.1405    4.6957 C   0  0  0  0  0
    9.4173    1.6672    6.3447 C   0  0  0  0  0
    8.1075   -1.0071    5.8576 C   0  0  0  0  0
    9.9423   -1.6175    4.2823 C   0  0  0  0  0
    1.5619    6.1394   -0.4237 H   0  0  0  0  0
    1.4588    4.8693    0.8082 H   0  0  0  0  0
    1.0553    4.5055   -0.8811 H   0  0  0  0  0
    3.8355    5.3322    0.1197 H   0  0  0  0  0
    3.4223    4.9451   -1.5460 H   0  0  0  0  0
    2.7781    2.6091   -0.8270 H   0  0  0  0  0
    3.2755    3.0005    0.8312 H   0  0  0  0  0
    4.9313    2.3725   -1.4587 H   0  0  0  0  0
    5.9326    3.1437   -2.9504 H   0  0  0  0  0
    7.0454    4.4917   -2.6594 H   0  0  0  0  0
    7.5146    2.0201   -4.4395 H   0  0  0  0  0
    7.3762    3.7105   -4.9407 H   0  0  0  0  0
   10.7492    2.5705   -2.9101 H   0  0  0  0  0
    9.7108    1.2878   -3.5772 H   0  0  0  0  0
    7.2940    2.0242    2.3393 H   0  0  0  0  0
    7.7270    1.1491    4.2727 H   0  0  0  0  0
   11.5300    0.6522    3.7718 H   0  0  0  0  0
   11.8841    0.7878    5.4917 H   0  0  0  0  0
   11.3941    2.2135    4.5599 H   0  0  0  0  0
    8.3398    1.7110    6.5250 H   0  0  0  0  0
    9.7717    2.7015    6.2764 H   0  0  0  0  0
    9.8928    1.2024    7.2153 H   0  0  0  0  0
    7.3809   -0.2517    6.1690 H   0  0  0  0  0
    8.6167   -1.3825    6.7516 H   0  0  0  0  0
    7.5401   -1.8339    5.4160 H   0  0  0  0  0
   10.7843   -1.3101    3.6617 H   0  0  0  0  0
    9.3015   -2.2653    3.6742 H   0  0  0  0  0
   10.3624   -2.2242    5.0925 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 25  1  0  0  0
 20 24  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 22 42  1  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
 23 45  1  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
 25 51  1  0  0  0
 25 52  1  0  0  0
 25 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2010905

>  <PubChem CID>
68909935

>  <Formula>
C19H28N2O3S

>  <Molecular Weight>
364.504000

>  <IUPAC Name>
N-propyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCNC(=O)C1=C(SC2=C1CCOC2)NC(=O)C3C(C3(C)C)(C)C

>  <Isomeric SMILES>
CCCNC(=O)C1=C(SC2=C1CCOC2)NC(=O)C3C(C3(C)C)(C)C

>  <InChI Std. ID>
InChI=1S/C19H28N2O3S/c1-6-8-20-15(22)13-11-7-9-24-10-12(11)25-17(13)21-16(23)14-18(2,3)19(14,4)5/h14H,6-10H2,1-5H3,(H,20,22)(H,21,23)

>  <InChI Key>
AGYKJMUYQFTAJK-UHFFFAOYSA-N

