1-(4-bromo-2-methylphenyl)-4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(4-bromo-2-methylphenyl)-4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(4-bromo-2-methylphenyl)-4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-2176 |
| Compound Name: | 1-(4-bromo-2-methylphenyl)-4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 502.39 |
| Molecular Formula: | C27 H21 Br F N3 O |
| Smiles: | Cc1cc(ccc1N1C2CCCC(C=2C(C(C#N)=C1n1cccc1)c1cccc(c1)F)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2296 |
| logD: | 6.2296 |
| logSw: | -5.4753 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 36.253 |
| InChI Key: | GBHLIEQMFAQHKY-VWLOTQADSA-N |