rel-(3aR,5R,7aS)-5-[(3-chlorophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5-[(3-chlorophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-[(3-chlorophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V006-1873 |
| Compound Name: | rel-(3aR,5R,7aS)-5-[(3-chlorophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethyl-7-{[3-(trifluoromethyl)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 568.03 |
| Molecular Formula: | C29 H33 Cl F3 N O5 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCC1CC1)=O)OCc1cccc(c1)[Cl])OCc1cccc(c1)C(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5098 |
| logD: | 6.5098 |
| logSw: | -6.3781 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.339 |
| InChI Key: | YVVHEQWGXJBZAD-XKMIWIHUSA-N |