1-(5-bromopyridin-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(5-bromopyridin-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(5-bromopyridin-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-5237 |
| Compound Name: | 1-(5-bromopyridin-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 539.35 |
| Molecular Formula: | C26 H18 Br F3 N4 O |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2c2ccc(cn2)[Br])n2cccc2)c2cccc(c2)C(F)(F)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0439 |
| logD: | 6.0439 |
| logSw: | -5.9354 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.155 |
| InChI Key: | UAKYCIZZXJONAD-QHCPKHFHSA-N |