9'a-hydroxy-1'-oxo-1',2',5'a,6',7',8',9',9'a-octahydrospiro[cyclohexane-1,3'-pyrido[2,1-b][1,3]benzothiazole]-2',4'-dicarbonitrile
Chemical Structure Depiction of
9'a-hydroxy-1'-oxo-1',2',5'a,6',7',8',9',9'a-octahydrospiro[cyclohexane-1,3'-pyrido[2,1-b][1,3]benzothiazole]-2',4'-dicarbonitrile
9'a-hydroxy-1'-oxo-1',2',5'a,6',7',8',9',9'a-octahydrospiro[cyclohexane-1,3'-pyrido[2,1-b][1,3]benzothiazole]-2',4'-dicarbonitrile
Compound characteristics
| Compound ID: | 8011-0019 |
| Compound Name: | 9'a-hydroxy-1'-oxo-1',2',5'a,6',7',8',9',9'a-octahydrospiro[cyclohexane-1,3'-pyrido[2,1-b][1,3]benzothiazole]-2',4'-dicarbonitrile |
| Molecular Weight: | 343.45 |
| Molecular Formula: | C18 H21 N3 O2 S |
| Smiles: | C1CCC2(CC1)C(C#N)C(N1C(=C2C#N)SC2CCCCC12O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3236 |
| logD: | 2.3236 |
| logSw: | -2.0006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.387 |
| InChI Key: | WEZAFGUZTDLBAS-UHFFFAOYSA-N |