rel-(3aR,5R,7aS)-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-N-(morpholin-4-yl)-7-{[4-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-N-(morpholin-4-yl)-7-{[4-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-N-(morpholin-4-yl)-7-{[4-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V004-5202 |
| Compound Name: | rel-(3aR,5R,7aS)-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-N-(morpholin-4-yl)-7-{[4-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 578.63 |
| Molecular Formula: | C30 H37 F3 N2 O6 |
| Smiles: | Cc1cccc(CO[C@@]2(CC([C@H]3[C@@H](C2)OC(C)(C)O3)OCc2ccc(cc2)C(F)(F)F)C(NN2CCOCC2)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1014 |
| logD: | 5.1014 |
| logSw: | -5.0311 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.365 |
| InChI Key: | CKFCDHLGTBADGW-CIIYXKIESA-N |