rel-(3aR,5R,7aS)-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(propan-2-yl)-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(propan-2-yl)-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(propan-2-yl)-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V004-1645 |
| Compound Name: | rel-(3aR,5R,7aS)-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(propan-2-yl)-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 555.57 |
| Molecular Formula: | C28 H33 F4 N O6 |
| Smiles: | CC(C)NC([C@]1(CC([C@H]2[C@@H](C1)OC(C)(C)O2)OCc1cccc(c1)OC(F)(F)F)OCc1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1516 |
| logD: | 6.1516 |
| logSw: | -5.551 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.999 |
| InChI Key: | UFPWWGILRLQIEK-OICUMVQSSA-N |