rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-(3-methylphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-(3-methylphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-(3-methylphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8008-1686 |
| Compound Name: | rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-(3-methylphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C26 H25 N3 O |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(C(C)(C)C)=O)[C@@H](c2cccc(C)c2)C1(C#N)C#N |
| Stereo: | RELATIVE |
| logP: | 5.3825 |
| logD: | 5.3469 |
| logSw: | -5.4515 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.083 |
| InChI Key: | VDKGDFVHPHDGSE-ZRBLBEILSA-N |