rel-(3aR,5R,7aS)-2,2-dimethyl-N-(morpholin-4-yl)-7-[(prop-2-en-1-yl)oxy]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-2,2-dimethyl-N-(morpholin-4-yl)-7-[(prop-2-en-1-yl)oxy]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-2,2-dimethyl-N-(morpholin-4-yl)-7-[(prop-2-en-1-yl)oxy]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V014-3199 |
| Compound Name: | rel-(3aR,5R,7aS)-2,2-dimethyl-N-(morpholin-4-yl)-7-[(prop-2-en-1-yl)oxy]-5-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 514.54 |
| Molecular Formula: | C25 H33 F3 N2 O6 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NN1CCOCC1)=O)OCc1cccc(c1)C(F)(F)F)OCC=C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4941 |
| logD: | 3.4941 |
| logSw: | -3.7596 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.555 |
| InChI Key: | KQOCUOJZZDIBBV-VSTGDIJJSA-N |