rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-8623 |
| Compound Name: | rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 449.47 |
| Molecular Formula: | C26 H22 F3 N3 O |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(C(C)(C)C)=O)[C@@H](c2ccc(cc2)C(F)(F)F)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.7117 |
| logD: | 5.6762 |
| logSw: | -5.6298 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.083 |
| InChI Key: | DGLHXLMBPUNVAZ-BDTNDASRSA-N |