rel-(3aR,5R,7aS)-N-ethyl-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-N-ethyl-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-N-ethyl-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-4826 |
| Compound Name: | rel-(3aR,5R,7aS)-N-ethyl-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 525.54 |
| Molecular Formula: | C27 H31 F4 N O5 |
| Smiles: | CCNC([C@]1(CC([C@H]2[C@@H](C1)OC(C)(C)O2)OCc1cccc(c1)C(F)(F)F)OCc1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1881 |
| logD: | 5.1881 |
| logSw: | -5.1336 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.714 |
| InChI Key: | HVOXJLITASQZSG-MCGZXDSGSA-N |