rel-(3aR,5R,7aS)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]-N-(morpholin-4-yl)-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-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V004-5166 |
| Compound Name: | rel-(3aR,5R,7aS)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 578.63 |
| Molecular Formula: | C30 H37 F3 N2 O6 |
| Smiles: | Cc1ccc(COC2C[C@@](C[C@@H]3[C@H]2OC(C)(C)O3)(C(NN2CCOCC2)=O)OCc2cccc(c2)C(F)(F)F)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7622 |
| logD: | 4.7622 |
| logSw: | -4.6666 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.365 |
| InChI Key: | HNWNKOOLTHCAJE-OVPKUEOZSA-N |