rel-(3aR,5R,7aS)-N-cyclopropyl-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-N-cyclopropyl-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-N-cyclopropyl-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V028-0059 |
| Compound Name: | rel-(3aR,5R,7aS)-N-cyclopropyl-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 553.55 |
| Molecular Formula: | C28 H31 F4 N O6 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NC1CC1)=O)OCc1ccccc1F)OCc1cccc(c1)OC(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9433 |
| logD: | 5.9433 |
| logSw: | -5.587 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.809 |
| InChI Key: | BRPBFNAXIGIDHR-OICUMVQSSA-N |