rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V027-7835 |
| Compound Name: | rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 512.55 |
| Molecular Formula: | C28 H30 F2 N2 O5 |
| Salt: | not_available |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NC1CC1)=O)OCc1ccccc1C#N)OCc1c(cccc1F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4872 |
| logD: | 4.4872 |
| logSw: | -4.4499 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.929 |
| InChI Key: | HRQZUNZSPKLIFQ-UYZKLLHOSA-N |