-ISIS-  08251615082D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.7875    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9583   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -1.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3167    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3167   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1792    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1792   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1333    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7167    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -0.6042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.0458   -1.4167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3167    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 16  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17  4  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20  8  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  1  0  0  0  0
  3  5  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <ID> (STL455395)
STL455395

>  <Rotatable_Bonds> (STL455395)
3

>  <logP> (STL455395)
4.238

>  <PSA> (STL455395)
92.35

>  <H_Donors> (STL455395)
1

>  <H_Acceptors> (STL455395)
2

>  <Number_of_rings> (STL455395)
2

>  <NAME> (STL455395)
2-(4-bromo-2,6-dimethylphenoxy)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

>  <Mol_Weight> (STL455395)
384.30

>  <Mol_Formula> (STL455395)
C15H18BrN3O2S

>  <Smiles> (STL455395)
O=C(Nc1nnc(s1)C(C)C)COc1c(C)cc(cc1C)Br

$$$$