-ISIS-  08091621332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.8708    1.1000    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.8917    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9958   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12  7  1  0  0  0  0
 13 14  2  0  0  0  0
 14 11  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 13  4  1  0  0  0  0
  6  8  2  0  0  0  0
 19 15  2  0  0  0  0
M  END
>  <ID> (BBL000958)
BBL000958

>  <Rotatable_Bonds> (BBL000958)
1

>  <logP> (BBL000958)
1.964

>  <PSA> (BBL000958)
84.74

>  <H_Donors> (BBL000958)
1

>  <H_Acceptors> (BBL000958)
2

>  <Number_of_rings> (BBL000958)
3

>  <NAME> (BBL000958)
N-(3,5-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

>  <Mol_Weight> (BBL000958)
302.36

>  <Mol_Formula> (BBL000958)
C14H14N4O2S

>  <Smiles> (BBL000958)
Cc1cc(cc(c1)C)NS(=O)(=O)c1cccn2c1nnc2

>  <Alternative_identifier> (BBL000958)
MFCD18804115

$$$$