rel-(3aR,5R,7aS)-N-(2-methoxyethyl)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-N-(2-methoxyethyl)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-N-(2-methoxyethyl)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-9875 |
| Compound Name: | rel-(3aR,5R,7aS)-N-(2-methoxyethyl)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 551.6 |
| Molecular Formula: | C29 H36 F3 N O6 |
| Smiles: | Cc1ccc(COC2C[C@@](C[C@@H]3[C@H]2OC(C)(C)O3)(C(NCCOC)=O)OCc2cccc(c2)C(F)(F)F)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.39 |
| logD: | 5.39 |
| logSw: | -5.5496 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.272 |
| InChI Key: | CJPJMYRKDYOYTA-XKMIWIHUSA-N |