rel-(3aR,5R,7aS)-5,7-bis[(3,4-difluorophenyl)methoxy]-N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5,7-bis[(3,4-difluorophenyl)methoxy]-N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5,7-bis[(3,4-difluorophenyl)methoxy]-N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V003-3617 |
| Compound Name: | rel-(3aR,5R,7aS)-5,7-bis[(3,4-difluorophenyl)methoxy]-N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 591.6 |
| Molecular Formula: | C30 H33 F4 N3 O5 |
| Salt: | not_available |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCCCn1ccnc1)=O)OCc1ccc(c(c1)F)F)OCc1ccc(c(c1)F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4654 |
| logD: | 4.2235 |
| logSw: | -4.2853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.458 |
| InChI Key: | QLJNYFNPYQBJEQ-ZGNPHWLPSA-N |