rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-(pyridin-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-(pyridin-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-(pyridin-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-8617 |
| Compound Name: | rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-(pyridin-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C24 H22 N4 O |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(C(C)(C)C)=O)[C@@H](c2cccnc2)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6806 |
| logD: | 3.6555 |
| logSw: | -3.6507 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.601 |
| InChI Key: | MBVBYUABXBKUHZ-HBMCJLEFSA-N |