rel-(3aR,5R,7aS)-7-[(2-cyanophenyl)methoxy]-5-[(4-fluorophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(2-cyanophenyl)methoxy]-5-[(4-fluorophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(2-cyanophenyl)methoxy]-5-[(4-fluorophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V027-4077 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(2-cyanophenyl)methoxy]-5-[(4-fluorophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 512.58 |
| Molecular Formula: | C28 H33 F N2 O6 |
| Salt: | not_available |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCCOC)=O)OCc1ccc(cc1)F)OCc1ccccc1C#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0684 |
| logD: | 4.0684 |
| logSw: | -4.2941 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.328 |
| InChI Key: | XNYUHEQERBTSEQ-XKMIWIHUSA-N |