rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-7-[(2,4-difluorophenyl)methoxy]-2,2-dimethyl-N-(2-methylpropyl)hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-7-[(2,4-difluorophenyl)methoxy]-2,2-dimethyl-N-(2-methylpropyl)hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-7-[(2,4-difluorophenyl)methoxy]-2,2-dimethyl-N-(2-methylpropyl)hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V004-8925 |
| Compound Name: | rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-7-[(2,4-difluorophenyl)methoxy]-2,2-dimethyl-N-(2-methylpropyl)hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 528.6 |
| Molecular Formula: | C29 H34 F2 N2 O5 |
| Smiles: | CC(C)CNC([C@]1(CC([C@H]2[C@@H](C1)OC(C)(C)O2)OCc1ccc(cc1F)F)OCc1ccccc1C#N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2464 |
| logD: | 5.2464 |
| logSw: | -5.0174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.144 |
| InChI Key: | XZYYFOMCTOSLRZ-CIIYXKIESA-N |