rel-(3aR,5R,7aS)-5,7-bis[(2-cyanophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5,7-bis[(2-cyanophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5,7-bis[(2-cyanophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V006-5319 |
| Compound Name: | rel-(3aR,5R,7aS)-5,7-bis[(2-cyanophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 519.6 |
| Molecular Formula: | C29 H33 N3 O6 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCCOC)=O)OCc1ccccc1C#N)OCc1ccccc1C#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6294 |
| logD: | 3.6294 |
| logSw: | -3.7928 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.384 |
| InChI Key: | ABPAMJRQJRYUNI-OVPKUEOZSA-N |