rel-(3aR,5R,7aS)-5-[(4-fluorophenyl)methoxy]-2,2-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5-[(4-fluorophenyl)methoxy]-2,2-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-[(4-fluorophenyl)methoxy]-2,2-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V009-6330 |
| Compound Name: | rel-(3aR,5R,7aS)-5-[(4-fluorophenyl)methoxy]-2,2-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 594.65 |
| Molecular Formula: | C31 H38 F4 N2 O5 |
| Salt: | not_available |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCCN1CCCC1)=O)OCc1ccc(cc1)F)OCc1cccc(c1)C(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3178 |
| logD: | 2.9581 |
| logSw: | -5.418 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.006 |
| InChI Key: | YKGIQDXUZSLCJD-BMIZCLJLSA-N |