9-[4-(benzyloxy)phenyl]-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-[4-(benzyloxy)phenyl]-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-2-one
9-[4-(benzyloxy)phenyl]-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: | D008-0242 |
| Compound Name: | 9-[4-(benzyloxy)phenyl]-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: | 421.58 |
| Molecular Formula: | C24 H23 N O2 S2 |
| Smiles: | C1CC2CC1C1C(C3=C(NC(=O)S3)SC12)c1ccc(cc1)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0044 |
| logD: | 6.0044 |
| logSw: | -5.9261 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.0226 |
| InChI Key: | VTAYVTORGQTMSX-UHFFFAOYSA-N |