rel-(3aR,5R,7aS)-7-[(2-cyanophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethyl-5-[(2-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(2-cyanophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethyl-5-[(2-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(2-cyanophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethyl-5-[(2-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-6837 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(2-cyanophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethyl-5-[(2-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C29 H36 N2 O6 |
| Smiles: | Cc1ccccc1CO[C@@]1(CC([C@H]2[C@@H](C1)OC(C)(C)O2)OCc1ccccc1C#N)C(NCCOC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6198 |
| logD: | 4.6198 |
| logSw: | -4.422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.328 |
| InChI Key: | GDCDTBTVTVFOFA-OVPKUEOZSA-N |