1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-1457 |
| Compound Name: | 1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C25 H20 N4 O3 S |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)N1C2CCCC(C=2C(C(C#N)=C1n1cccc1)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6746 |
| logD: | 4.6746 |
| logSw: | -4.6038 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.352 |
| InChI Key: | ZKKXABFLNZRQHU-QHCPKHFHSA-N |