-ISIS-  08251613402D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.5958    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8792    2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1292    3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    4.4833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208   -3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4708   -2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -4.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250    1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -4.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 19  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 15  1  0  0  0  0
 22  8  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 21  1  0  0  0  0
  7  5  2  0  0  0  0
 14 24  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <ID> (STK989213)
STK989213

>  <Rotatable_Bonds> (STK989213)
2

>  <logP> (STK989213)
4.473

>  <PSA> (STK989213)
92.35

>  <H_Donors> (STK989213)
1

>  <H_Acceptors> (STK989213)
2

>  <Number_of_rings> (STK989213)
3

>  <NAME> (STK989213)
3-fluoro-N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}benzamide

>  <Mol_Weight> (STK989213)
355.39

>  <Mol_Formula> (STK989213)
C18H14FN3O2S

>  <Smiles> (STK989213)
COc1ccc(cc1)/C=C/c1nnc(s1)NC(=O)c1cccc(c1)F

$$$$