rel-(3aR,5R,7aS)-7-(benzyloxy)-N-ethyl-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-ethyl-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-(benzyloxy)-N-ethyl-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V026-4673 |
| Compound Name: | rel-(3aR,5R,7aS)-7-(benzyloxy)-N-ethyl-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C27 H35 N O5 |
| Smiles: | CCNC([C@]1(CC([C@H]2[C@@H](C1)OC(C)(C)O2)OCc1ccccc1)OCc1cccc(C)c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0029 |
| logD: | 5.0028 |
| logSw: | -4.9611 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.714 |
| InChI Key: | YIFWGIGZCZNFKF-OICUMVQSSA-N |