rel-(3aR,5R,7aS)-7-(benzyloxy)-N-cyclopropyl-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-(benzyloxy)-N-cyclopropyl-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-(benzyloxy)-N-cyclopropyl-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V023-5018 |
| Compound Name: | rel-(3aR,5R,7aS)-7-(benzyloxy)-N-cyclopropyl-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C28 H35 N O5 |
| Smiles: | Cc1cccc(CO[C@@]2(CC([C@H]3[C@@H](C2)OC(C)(C)O3)OCc2ccccc2)C(NC2CC2)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3357 |
| logD: | 5.3357 |
| logSw: | -5.4463 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.873 |
| InChI Key: | KUWGFMIZSCQEGE-UYZKLLHOSA-N |