rel-(3aR,5R,7aS)-7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V009-6373 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 585.06 |
| Molecular Formula: | C29 H36 Cl F3 N2 O5 |
| Salt: | not_available |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCCN(C)C)=O)OCc1cccc(c1)C(F)(F)F)OCc1cccc(c1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5149 |
| logD: | 3.7688 |
| logSw: | -5.9581 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.795 |
| InChI Key: | WYNMNRLSNXNRJH-UYZKLLHOSA-N |