-ISIS-  08251615082D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542    2.3292    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9875    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2958    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4917    1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083   -2.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2083    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375    1.7125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2667    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4458    3.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4833    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9583    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9417   -1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583   -2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8 13  1  0  0  0  0
  9 15  2  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
  6  5  1  0  0  0  0
 16  9  1  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2   2   1  11  -1
M  END
>  <ID> (STL483885)
STL483885

>  <SALTDATA> (STL483885)
HBr

>  <Rotatable_Bonds> (STL483885)
1

>  <logP> (STL483885)
2.179

>  <PSA> (STL483885)
123.37

>  <H_Donors> (STL483885)
2

>  <H_Acceptors> (STL483885)
2

>  <Number_of_rings> (STL483885)
3

>  <NAME> (STL483885)
7-{2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]hydrazinyl}-3,4,5,6-tetrahydro-2H-azepine

>  <Mol_Weight> (STL483885)
331.40

>  <Mol_Formula> (STL483885)
C15H17N5O2S

>  <Smiles> (STL483885)
[O-][N+](=O)c1ccc(cc1)c1csc(n1)NNC1=NCCCCC1

$$$$