-ISIS-  08251613402D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    5.6750    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8042   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0792   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13 17  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  2  0  0  0  0
 18 23  1  0  0  0  0
 19 15  1  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
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 23 14  2  0  0  0  0
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 25 21  1  0  0  0  0
 26 18  1  0  0  0  0
 27 22  1  0  0  0  0
 28 22  1  0  0  0  0
 29 27  1  0  0  0  0
  4  7  2  0  0  0  0
 18 11  2  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <ID> (STK989018)
STK989018

>  <Rotatable_Bonds> (STK989018)
3

>  <logP> (STK989018)
6.362

>  <PSA> (STK989018)
104.38

>  <H_Donors> (STK989018)
2

>  <H_Acceptors> (STK989018)
2

>  <Number_of_rings> (STK989018)
3

>  <NAME> (STK989018)
1-(5-{[4-(butan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)-3-(2,4-dichlorophenyl)urea

>  <Mol_Weight> (STK989018)
451.38

>  <Mol_Formula> (STK989018)
C20H20Cl2N4O2S

>  <Smiles> (STK989018)
CCC(c1ccc(cc1)OCc1nnc(s1)NC(=O)Nc1ccc(cc1Cl)Cl)C

$$$$