rel-(3aR,5R,7aS)-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-[(oxolan-2-yl)methyl]-7-{[3-(trifluoromethyl)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-[(oxolan-2-yl)methyl]-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-[(oxolan-2-yl)methyl]-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-4817 |
| Compound Name: | rel-(3aR,5R,7aS)-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-[(oxolan-2-yl)methyl]-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 581.61 |
| Molecular Formula: | C30 H35 F4 N O6 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCC1CCCO1)=O)OCc1ccccc1F)OCc1cccc(c1)C(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0995 |
| logD: | 5.0994 |
| logSw: | -4.9995 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.471 |
| InChI Key: | IHHLWVCDDWJQCN-UDCZRPFVSA-N |