rel-(3aR,5R,7aS)-7-[(3,4-difluorophenyl)methoxy]-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(2-methylpropyl)hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(3,4-difluorophenyl)methoxy]-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(2-methylpropyl)hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(3,4-difluorophenyl)methoxy]-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(2-methylpropyl)hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V023-4038 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(3,4-difluorophenyl)methoxy]-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(2-methylpropyl)hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 521.58 |
| Molecular Formula: | C28 H34 F3 N O5 |
| Smiles: | CC(C)CNC([C@]1(CC([C@H]2[C@@H](C1)OC(C)(C)O2)OCc1ccc(c(c1)F)F)OCc1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6028 |
| logD: | 5.6028 |
| logSw: | -5.4489 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.088 |
| InChI Key: | UXBHCVFORCCWSE-UYZKLLHOSA-N |