rel-(3aR,5R,7aS)-7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V004-5154 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 582.59 |
| Molecular Formula: | C29 H34 F4 N2 O6 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NN1CCOCC1)=O)OCc1cccc(c1)C(F)(F)F)OCc1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3679 |
| logD: | 4.3679 |
| logSw: | -4.4151 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.365 |
| InChI Key: | AKWNUNUDGSLOEO-UYZKLLHOSA-N |