rel-(1R,2R,3aS)-1-acetyl-2-(4-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-1-acetyl-2-(4-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-1-acetyl-2-(4-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8004-9539 |
| Compound Name: | rel-(1R,2R,3aS)-1-acetyl-2-(4-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C22 H16 F N3 O |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(C)=O)[C@@H](c2ccc(cc2)F)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5985 |
| logD: | 3.551 |
| logSw: | -3.6758 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.171 |
| InChI Key: | JTEMAQOLOZDCDE-PWRODBHTSA-N |