-ISIS-  08251614012D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2375   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2583   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7583   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -2.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2292   -3.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042    3.4917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2292   -1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333   -0.9167    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  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7 11  2  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15 19  2  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 22  8  1  0  0  0  0
 23 12  1  0  0  0  0
 24 12  1  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
  4  7  1  0  0  0  0
 26 24  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <ID> (STK911707)
STK911707

>  <Rotatable_Bonds> (STK911707)
3

>  <logP> (STK911707)
5.231

>  <PSA> (STK911707)
80.18

>  <H_Donors> (STK911707)
1

>  <H_Acceptors> (STK911707)
1

>  <Number_of_rings> (STK911707)
3

>  <NAME> (STK911707)
5-chloro-2-[(4-fluorobenzyl)sulfanyl]-N-(2-methylphenyl)pyrimidine-4-carboxamide

>  <Mol_Weight> (STK911707)
387.86

>  <Mol_Formula> (STK911707)
C19H15ClFN3OS

>  <Smiles> (STK911707)
Fc1ccc(cc1)CSc1ncc(c(n1)C(=O)Nc1ccccc1C)Cl

$$$$