rel-(3aR,5R,7aS)-5-[(3-fluorophenyl)methoxy]-N,2,2-trimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5-[(3-fluorophenyl)methoxy]-N,2,2-trimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-[(3-fluorophenyl)methoxy]-N,2,2-trimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V026-9002 |
| Compound Name: | rel-(3aR,5R,7aS)-5-[(3-fluorophenyl)methoxy]-N,2,2-trimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 511.51 |
| Molecular Formula: | C26 H29 F4 N O5 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NC)=O)OCc1cccc(c1)F)OCc1cccc(c1)C(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9898 |
| logD: | 4.9898 |
| logSw: | -4.8755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.238 |
| InChI Key: | XDGHJERVIZDEKM-UHOARXMQSA-N |