9-{2-[(4-methylphenyl)methoxy]-5-nitrophenyl}-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-2-one
Chemical Structure Depiction of
9-{2-[(4-methylphenyl)methoxy]-5-nitrophenyl}-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-2-one
9-{2-[(4-methylphenyl)methoxy]-5-nitrophenyl}-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-2-one
Compound characteristics
| Compound ID: | 6335-0014 |
| Compound Name: | 9-{2-[(4-methylphenyl)methoxy]-5-nitrophenyl}-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-2-one |
| Molecular Weight: | 480.6 |
| Molecular Formula: | C25 H24 N2 O4 S2 |
| Smiles: | Cc1ccc(COc2ccc(cc2C2C3C4CCC(C4)C3SC3=C2SC(N3)=O)[N+]([O-])=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7656 |
| logD: | 6.7656 |
| logSw: | -5.6216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.491 |
| InChI Key: | HNYADDICHTXWIO-UHFFFAOYSA-N |