
 CHEMBL2010909

 47 49  0  0  0  0  0  0  0  0999 V2000
    2.9993    5.0244   -2.4420 C   0  0  0  0  0
    2.8882    4.3464   -1.0822 C   0  0  0  0  0
    3.6825    3.0441   -1.0000 C   0  0  0  0  0
    5.1092    3.2713   -1.1096 N   0  0  0  0  0
    6.0065    2.9443   -0.1203 C   0  0  0  0  0
    5.6586    2.4592    0.9544 O   0  0  0  0  0
    7.4123    3.2827   -0.4002 C   0  0  0  0  0
    8.3397    3.4129    0.6334 C   0  0  0  0  0
    9.8617    3.9329    0.0954 S   0  0  0  0  0
    9.3789    3.8883   -1.5269 C   0  0  0  0  0
    8.0675    3.4766   -1.6789 C   0  0  0  0  0
    7.5329    3.2938   -3.0710 C   0  0  0  0  0
    8.6920    3.2043   -4.0752 C   0  0  0  0  0
    9.5919    4.3045   -3.8785 O   0  0  0  0  0
   10.3293    4.1977   -2.6421 C   0  0  0  0  0
    8.0905    3.1766    1.9783 N   0  0  0  0  0
    8.9983    3.1745    3.0212 C   0  0  0  0  0
   10.1936    3.4199    2.9913 O   0  0  0  0  0
    8.4203    2.8120    4.3421 C   0  0  0  0  0
    8.7831    3.4941    5.5182 C   0  0  0  0  0
    8.2650    3.0359    6.7501 C   0  0  0  0  0
    7.3905    1.9496    6.8104 C   0  0  0  0  0
    7.0249    1.2955    5.6407 C   0  0  0  0  0
    7.5452    1.7216    4.4227 C   0  0  0  0  0
    7.1911    1.0453    3.3206 F   0  0  0  0  0
    9.7075    4.6888    5.5212 C   0  0  0  0  0
    9.4467    5.5109    6.5874 F   0  0  0  0  0
   11.0167    4.3499    5.6535 F   0  0  0  0  0
    9.5965    5.5007    4.4391 F   0  0  0  0  0
    2.3435    5.8999   -2.4815 H   0  0  0  0  0
    2.7042    4.3434   -3.2467 H   0  0  0  0  0
    4.0203    5.3664   -2.6375 H   0  0  0  0  0
    1.8316    4.1262   -0.8896 H   0  0  0  0  0
    3.2229    5.0419   -0.3038 H   0  0  0  0  0
    3.4013    2.3735   -1.8187 H   0  0  0  0  0
    3.4535    2.5349   -0.0583 H   0  0  0  0  0
    5.4368    3.7956   -1.9034 H   0  0  0  0  0
    6.9143    2.3931   -3.1423 H   0  0  0  0  0
    6.9194    4.1662   -3.3245 H   0  0  0  0  0
    9.2412    2.2592   -3.9833 H   0  0  0  0  0
    8.3013    3.2655   -5.0962 H   0  0  0  0  0
   10.8351    5.1549   -2.4806 H   0  0  0  0  0
   11.0835    3.4109   -2.7510 H   0  0  0  0  0
    7.1393    2.8536    2.1669 H   0  0  0  0  0
    8.5453    3.5361    7.6783 H   0  0  0  0  0
    6.9996    1.6143    7.7687 H   0  0  0  0  0
    6.3473    0.4468    5.6657 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  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 38  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 26  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 26 29  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2010909

>  <PubChem CID>
70693593

>  <Formula>
C19H18F4N2O3S

>  <Molecular Weight>
430.418000

>  <IUPAC Name>
2-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCNC(=O)C1=C(SC2=C1CCOC2)NC(=O)C3=C(C=CC=C3F)C(F)(F)F

>  <Isomeric SMILES>
CCCNC(=O)C1=C(SC2=C1CCOC2)NC(=O)C3=C(C=CC=C3F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C19H18F4N2O3S/c1-2-7-24-16(26)14-10-6-8-28-9-13(10)29-18(14)25-17(27)15-11(19(21,22)23)4-3-5-12(15)20/h3-5H,2,6-9H2,1H3,(H,24,26)(H,25,27)

>  <InChI Key>
AYSRJCOIKJXGSM-UHFFFAOYSA-N

