rel-(3aR,5R,7aS)-N-cyclopropyl-7-[(2-fluorophenyl)methoxy]-2,2-dimethyl-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-N-cyclopropyl-7-[(2-fluorophenyl)methoxy]-2,2-dimethyl-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-N-cyclopropyl-7-[(2-fluorophenyl)methoxy]-2,2-dimethyl-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V024-6013 |
| Compound Name: | rel-(3aR,5R,7aS)-N-cyclopropyl-7-[(2-fluorophenyl)methoxy]-2,2-dimethyl-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 537.55 |
| Molecular Formula: | C28 H31 F4 N O5 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NC1CC1)=O)OCc1cccc(c1)C(F)(F)F)OCc1ccccc1F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8104 |
| logD: | 5.8104 |
| logSw: | -5.7313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.873 |
| InChI Key: | YOZCCRXXZXLHBT-SGLZHPSQSA-N |