rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-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-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-4419 |
| Compound Name: | rel-(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C25 H22 F N3 O |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(C(C)(C)C)=O)[C@@H](c2ccc(cc2)F)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.8681 |
| logD: | 4.8325 |
| logSw: | -4.6192 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.083 |
| InChI Key: | QJLPCONQBMYULI-BDTNDASRSA-N |