rel-(3aR,5R,7aS)-7-[(2,3-difluorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(2,3-difluorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(2,3-difluorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-3214 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(2,3-difluorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 628.64 |
| Molecular Formula: | C31 H37 F5 N2 O6 |
| Salt: | not_available |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCCN1CCOCC1)=O)OCc1cccc(c1)C(F)(F)F)OCc1cccc(c1F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1446 |
| logD: | 5.0287 |
| logSw: | -5.1412 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.549 |
| InChI Key: | LZFNRVCWRUGBMJ-MYYLYANBSA-N |