1-(4-bromo-2-methylphenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(4-bromo-2-methylphenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(4-bromo-2-methylphenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-0323 |
| Compound Name: | 1-(4-bromo-2-methylphenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 485.38 |
| Molecular Formula: | C26 H21 Br N4 O |
| Smiles: | Cc1cc(ccc1N1C2CCCC(C=2C(C(C#N)=C1n1cccc1)c1cccnc1)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0718 |
| logD: | 5.0718 |
| logSw: | -4.5168 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.771 |
| InChI Key: | PVFUHCYYNRZLNY-DEOSSOPVSA-N |