rel-(3aR,5R,7aS)-N,2,2-trimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-N,2,2-trimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-N,2,2-trimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-6595 |
| Compound Name: | rel-(3aR,5R,7aS)-N,2,2-trimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 577.52 |
| Molecular Formula: | C27 H29 F6 N O6 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NC)=O)OCc1cccc(c1)C(F)(F)F)OCc1cccc(c1)OC(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0467 |
| logD: | 6.0467 |
| logSw: | -5.6651 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.175 |
| InChI Key: | MIDZAEQQBLUNGF-JLXZOULPSA-N |