9-{2-[(2-chlorophenyl)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-[(2-chlorophenyl)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-[(2-chlorophenyl)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: | 6194-0093 |
| Compound Name: | 9-{2-[(2-chlorophenyl)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: | 501.02 |
| Molecular Formula: | C24 H21 Cl N2 O4 S2 |
| Smiles: | C1CC2CC1C1C(C3=C(NC(=O)S3)SC12)c1cc(ccc1OCc1ccccc1[Cl])[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.817 |
| logD: | 6.817 |
| logSw: | -6.5225 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.491 |
| InChI Key: | QOGOWCLXSZOUGF-UHFFFAOYSA-N |