rel-(3aR,5R,7aS)-N-(2-methoxyethyl)-5-[(3-methoxyphenyl)methoxy]-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-N-(2-methoxyethyl)-5-[(3-methoxyphenyl)methoxy]-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-N-(2-methoxyethyl)-5-[(3-methoxyphenyl)methoxy]-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V004-8879 |
| Compound Name: | rel-(3aR,5R,7aS)-N-(2-methoxyethyl)-5-[(3-methoxyphenyl)methoxy]-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 583.6 |
| Molecular Formula: | C29 H36 F3 N O8 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCCOC)=O)OCc1cccc(c1)OC)OCc1cccc(c1)OC(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4942 |
| logD: | 5.4942 |
| logSw: | -5.4358 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.752 |
| InChI Key: | WJBCPMAUJIVDCA-UYZKLLHOSA-N |