rel-(3aR,5R,7aS)-7-[(2-cyanophenyl)methoxy]-N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethyl-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(2-cyanophenyl)methoxy]-N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethyl-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(2-cyanophenyl)methoxy]-N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethyl-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-1658 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(2-cyanophenyl)methoxy]-N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethyl-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 612.65 |
| Molecular Formula: | C32 H35 F3 N4 O5 |
| Salt: | not_available |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCCCn1ccnc1)=O)OCc1cccc(c1)C(F)(F)F)OCc1ccccc1C#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6008 |
| logD: | 4.3589 |
| logSw: | -4.4425 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.515 |
| InChI Key: | XUIUVWSCQWBWBW-XMLACPMZSA-N |