
 CHEMBL1224032

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.9746    1.2132    1.0774 C   0  0  0  0  0
    2.8229    2.4726    1.2184 C   0  0  0  0  0
    2.5724    3.1423    2.5685 C   0  0  0  0  0
    4.2269    2.1468    1.0486 N   0  0  0  0  0
    5.1881    3.0942    0.7833 C   0  0  0  0  0
    4.9231    4.2705    0.5605 O   0  0  0  0  0
    6.4825    2.5709    0.8262 N   0  0  0  0  0
    7.6343    3.3371    0.3205 C   0  0  0  0  0
    8.4812    2.2877   -0.3992 C   0  0  0  0  0
    7.4196    1.2972   -0.8245 C   0  0  0  0  0
    6.5193    1.2401    0.2869 O   0  0  0  0  0
    9.4869    1.5899    0.5057 C   0  0  0  0  0
   10.7429    2.7726    1.0258 S   0  0  0  0  0
    9.6701    3.9791    1.7770 C   0  0  0  0  0
    8.3220    4.1523    1.4097 C   0  0  0  0  0
    7.5939    5.1648    2.0701 C   0  0  0  0  0
    8.1762    5.9436    3.0660 C   0  0  0  0  0
    9.4988    5.7617    3.4265 C   0  0  0  0  0
   10.2476    4.7853    2.7751 C   0  0  0  0  0
    7.4484    6.8854    3.6793 F   0  0  0  0  0
    2.1494    0.7335    0.1083 H   0  0  0  0  0
    0.9081    1.4489    1.1525 H   0  0  0  0  0
    2.2184    0.4813    1.8559 H   0  0  0  0  0
    2.5473    3.1772    0.4245 H   0  0  0  0  0
    2.8724    2.4906    3.3964 H   0  0  0  0  0
    1.5121    3.3871    2.6912 H   0  0  0  0  0
    3.1423    4.0730    2.6604 H   0  0  0  0  0
    4.5959    1.2664    1.3856 H   0  0  0  0  0
    7.2620    4.0456   -0.4332 H   0  0  0  0  0
    8.9957    2.7044   -1.2739 H   0  0  0  0  0
    7.8103    0.2963   -1.0309 H   0  0  0  0  0
    6.8642    1.6448   -1.7032 H   0  0  0  0  0
    9.9895    0.7810   -0.0355 H   0  0  0  0  0
    9.0171    1.1462    1.3909 H   0  0  0  0  0
    6.5585    5.3745    1.8198 H   0  0  0  0  0
    9.9392    6.3784    4.2025 H   0  0  0  0  0
   11.2907    4.6507    3.0561 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  8 29  1  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1224032

>  <PubChem CID>
49865830

>  <Formula>
C14H17FN2O2S

>  <Molecular Weight>
296.360000

>  <IUPAC Name>
8-fluoro-N-propan-2-yl-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)NC(=O)N1C2C(CO1)CSC3=C2C=C(C=C3)F

>  <Isomeric SMILES>
CC(C)NC(=O)N1C2C(CO1)CSC3=C2C=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C14H17FN2O2S/c1-8(2)16-14(18)17-13-9(6-19-17)7-20-12-4-3-10(15)5-11(12)13/h3-5,8-9,13H,6-7H2,1-2H3,(H,16,18)

>  <InChI Key>
ANXPKWUHAVEULP-UHFFFAOYSA-N

