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-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D057-0011 |
| 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-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 551.05 |
| Molecular Formula: | C26 H22 Cl F3 N2 O2 S2 |
| Smiles: | C1CC2CC1C1C(C3=C(N(CC(Nc4ccccc4C(F)(F)F)=O)C(=O)S3)SC12)c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4239 |
| logD: | 7.4239 |
| logSw: | -6.6468 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.168 |
| InChI Key: | IFHDNACNVQYZEV-UHFFFAOYSA-N |