rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-ethyl-2,2-dimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-ethyl-2,2-dimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-ethyl-2,2-dimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V027-7799 |
| Compound Name: | rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-ethyl-2,2-dimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 532.56 |
| Molecular Formula: | C28 H31 F3 N2 O5 |
| Smiles: | CCNC([C@]1(CC([C@H]2[C@@H](C1)OC(C)(C)O2)OCc1cccc(c1)C(F)(F)F)OCc1ccccc1C#N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7031 |
| logD: | 4.7031 |
| logSw: | -4.5718 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.77 |
| InChI Key: | BDVSESLHTJFSRX-SGLZHPSQSA-N |