rel-(3aR,5R,7aS)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]-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)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V009-6382 |
| Compound Name: | rel-(3aR,5R,7aS)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 590.68 |
| Molecular Formula: | C32 H41 F3 N2 O5 |
| Smiles: | Cc1ccc(COC2C[C@@](C[C@@H]3[C@H]2OC(C)(C)O3)(C(NCCN2CCCC2)=O)OCc2cccc(c2)C(F)(F)F)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7121 |
| logD: | 3.3524 |
| logSw: | -5.477 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.006 |
| InChI Key: | UOYWHCFPOXRJSX-RLTGJAFQSA-N |