rel-(3aR,5R,7aS)-5-(benzyloxy)-N-(cyclopropylmethyl)-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5-(benzyloxy)-N-(cyclopropylmethyl)-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-(benzyloxy)-N-(cyclopropylmethyl)-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V003-3581 |
| Compound Name: | rel-(3aR,5R,7aS)-5-(benzyloxy)-N-(cyclopropylmethyl)-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 549.59 |
| Molecular Formula: | C29 H34 F3 N O6 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCC1CC1)=O)OCc1ccccc1)OCc1cccc(c1)OC(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2268 |
| logD: | 6.2268 |
| logSw: | -5.6223 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.276 |
| InChI Key: | GFQQOTLHIQWRIX-UYZKLLHOSA-N |