rel-(1R,2S,3aS)-2-(2-chloro-6-fluorophenyl)-1-(4-fluorobenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2S,3aS)-2-(2-chloro-6-fluorophenyl)-1-(4-fluorobenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2S,3aS)-2-(2-chloro-6-fluorophenyl)-1-(4-fluorobenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-4490 |
| Compound Name: | rel-(1R,2S,3aS)-2-(2-chloro-6-fluorophenyl)-1-(4-fluorobenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 471.89 |
| Molecular Formula: | C27 H16 Cl F2 N3 O |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(c2ccc(cc2)F)=O)[C@@H](c2c(cccc2[Cl])F)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.4009 |
| logD: | 5.1378 |
| logSw: | -6.0077 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.812 |
| InChI Key: | QLEQIWOQMSMCRB-CAOCKLPOSA-N |