2-[9-(4-chlorophenyl)-2-oxo-5,6,7,8,8a,9-hexahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-3(4aH)-yl]-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-[9-(4-chlorophenyl)-2-oxo-5,6,7,8,8a,9-hexahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-3(4aH)-yl]-N-(2-methylphenyl)acetamide
2-[9-(4-chlorophenyl)-2-oxo-5,6,7,8,8a,9-hexahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-3(4aH)-yl]-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D057-0014 |
| Compound Name: | 2-[9-(4-chlorophenyl)-2-oxo-5,6,7,8,8a,9-hexahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-3(4aH)-yl]-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 497.08 |
| Molecular Formula: | C26 H25 Cl N2 O2 S2 |
| Smiles: | Cc1ccccc1NC(CN1C2=C(C(C3C4CCC(C4)C3S2)c2ccc(cc2)[Cl])SC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7031 |
| logD: | 6.7031 |
| logSw: | -6.4228 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.168 |
| InChI Key: | HEFWBRVSCFCCMX-UHFFFAOYSA-N |