rel-(3aR,5R,7aS)-7-[(4-cyanophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(4-cyanophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(4-cyanophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-2337 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(4-cyanophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 589.61 |
| Molecular Formula: | C30 H34 F3 N3 O6 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NN1CCOCC1)=O)OCc1cccc(c1)C(F)(F)F)OCc1ccc(C#N)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9933 |
| logD: | 3.9933 |
| logSw: | -4.2568 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.421 |
| InChI Key: | DIXMVDXKSWLZHH-OVPKUEOZSA-N |