rel-(3aR,5R,7aS)-7-[(2,4-difluorophenyl)methoxy]-N-ethyl-5-[(4-fluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(2,4-difluorophenyl)methoxy]-N-ethyl-5-[(4-fluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(2,4-difluorophenyl)methoxy]-N-ethyl-5-[(4-fluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V001-7945 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(2,4-difluorophenyl)methoxy]-N-ethyl-5-[(4-fluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 493.52 |
| Molecular Formula: | C26 H30 F3 N O5 |
| Smiles: | CCNC([C@]1(CC([C@H]2[C@@H](C1)OC(C)(C)O2)OCc1ccc(cc1F)F)OCc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7394 |
| logD: | 4.7394 |
| logSw: | -4.7511 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.714 |
| InChI Key: | NIBGWSIQVWYEFR-MCDNJBFBSA-N |