rel-(3aR,5R,7aS)-7-(benzyloxy)-2,2-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-(benzyloxy)-2,2-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-(benzyloxy)-2,2-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V009-6381 |
| Compound Name: | rel-(3aR,5R,7aS)-7-(benzyloxy)-2,2-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 576.66 |
| Molecular Formula: | C31 H39 F3 N2 O5 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCCN1CCCC1)=O)OCc1cccc(c1)C(F)(F)F)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2888 |
| logD: | 2.929 |
| logSw: | -5.3558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.006 |
| InChI Key: | WYGJDEYUHXVZBL-ZGNPHWLPSA-N |