rel-(3aR,5R,7aS)-7-(benzyloxy)-5-[(2-cyanophenyl)methoxy]-N-ethyl-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-(benzyloxy)-5-[(2-cyanophenyl)methoxy]-N-ethyl-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-(benzyloxy)-5-[(2-cyanophenyl)methoxy]-N-ethyl-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V027-7846 |
| Compound Name: | rel-(3aR,5R,7aS)-7-(benzyloxy)-5-[(2-cyanophenyl)methoxy]-N-ethyl-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C27 H32 N2 O5 |
| Smiles: | CCNC([C@]1(CC([C@H]2[C@@H](C1)OC(C)(C)O2)OCc1ccccc1)OCc1ccccc1C#N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8964 |
| logD: | 3.8964 |
| logSw: | -3.9872 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.77 |
| InChI Key: | GQJJRHWHLJOBHR-SGLZHPSQSA-N |