1-(2-methyl-5-nitrophenyl)-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(2-methyl-5-nitrophenyl)-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(2-methyl-5-nitrophenyl)-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-1442 |
| Compound Name: | 1-(2-methyl-5-nitrophenyl)-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C26 H22 N4 O3 S |
| Smiles: | Cc1ccc(cc1N1C2CCCC(C=2C(C(C#N)=C1n1cccc1)c1ccc(C)s1)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6577 |
| logD: | 5.6577 |
| logSw: | -5.3831 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.653 |
| InChI Key: | OYGKPJKBNMURBF-DEOSSOPVSA-N |