rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-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-[(2-cyanophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V026-1575 |
| Compound Name: | rel-(3aR,5R,7aS)-5-[(2-cyanophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methoxy}hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 574.6 |
| Molecular Formula: | C30 H33 F3 N2 O6 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCC1CC1)=O)OCc1ccccc1C#N)OCc1cccc(c1)OC(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8168 |
| logD: | 5.8168 |
| logSw: | -5.5986 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.332 |
| InChI Key: | NNFZYKJHCJKCTR-CIIYXKIESA-N |