rel-(3aR,5R,7aS)-N-(cyclopropylmethyl)-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-N-(cyclopropylmethyl)-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-N-(cyclopropylmethyl)-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V026-0785 |
| Compound Name: | rel-(3aR,5R,7aS)-N-(cyclopropylmethyl)-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 563.61 |
| Molecular Formula: | C30 H36 F3 N O6 |
| Smiles: | Cc1cccc(CO[C@@]2(CC([C@H]3[C@@H](C2)OC(C)(C)O3)OCc2cccc(c2)OC(F)(F)F)C(NCC2CC2)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9233 |
| logD: | 6.9233 |
| logSw: | -5.696 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.276 |
| InChI Key: | PAGYAFJLSWLFDE-CIIYXKIESA-N |