-ISIS-  08251614012D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -1.7375   -2.4958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7458   -3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8792   -1.9958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8792   -3.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -3.9958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -2.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -2.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  2  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17 19  2  0  0  0  0
 18  8  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21  6  1  0  0  0  0
 22 13  1  0  0  0  0
 23 17  1  0  0  0  0
 24 12  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 24  1  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
 31 27  1  0  0  0  0
 20 10  1  0  0  0  0
  6  5  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <ID> (STK813111)
STK813111

>  <Rotatable_Bonds> (STK813111)
9

>  <logP> (STK813111)
3.622

>  <PSA> (STK813111)
102.73

>  <H_Donors> (STK813111)
0

>  <H_Acceptors> (STK813111)
5

>  <Number_of_rings> (STK813111)
3

>  <NAME> (STK813111)
propan-2-yl 6-(3-ethoxy-4-propoxyphenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

>  <Mol_Weight> (STK813111)
446.57

>  <Mol_Formula> (STK813111)
C23H30N2O5S

>  <Smiles> (STK813111)
CCCOc1ccc(cc1OCC)C1N2C(=O)CCSC2=NC(=C1C(=O)OC(C)C)C

$$$$