rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-cyclopropyl-2,2-dimethyl-7-[(4-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-cyclopropyl-2,2-dimethyl-7-[(4-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-cyclopropyl-2,2-dimethyl-7-[(4-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V027-7823 |
| Compound Name: | rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-cyclopropyl-2,2-dimethyl-7-[(4-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C29 H34 N2 O5 |
| Smiles: | Cc1ccc(COC2C[C@@](C[C@@H]3[C@H]2OC(C)(C)O3)(C(NC2CC2)=O)OCc2ccccc2C#N)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6526 |
| logD: | 4.6526 |
| logSw: | -4.4839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.929 |
| InChI Key: | KLUSNJOKIQVPNS-CIIYXKIESA-N |