1-(3-chloro-4-fluorophenyl)-4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(3-chloro-4-fluorophenyl)-4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(3-chloro-4-fluorophenyl)-4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-1487 |
| Compound Name: | 1-(3-chloro-4-fluorophenyl)-4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 461.9 |
| Molecular Formula: | C26 H18 Cl F2 N3 O |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2c2ccc(c(c2)[Cl])F)n2cccc2)c2cccc(c2)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3455 |
| logD: | 5.3455 |
| logSw: | -6.1277 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 36.554 |
| InChI Key: | WFLXGUYZIQVEDG-DEOSSOPVSA-N |