rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-(cyclopropylmethyl)-7-[(2,4-difluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-(cyclopropylmethyl)-7-[(2,4-difluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-(cyclopropylmethyl)-7-[(2,4-difluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V020-6800 |
| Compound Name: | rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-(cyclopropylmethyl)-7-[(2,4-difluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 526.58 |
| Molecular Formula: | C29 H32 F2 N2 O5 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCC1CC1)=O)OCc1ccccc1C#N)OCc1ccc(cc1F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9918 |
| logD: | 4.9918 |
| logSw: | -4.6868 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.396 |
| InChI Key: | RPIMXGVKLIGVBE-CIIYXKIESA-N |