2-amino-1-(4-methylphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-methylphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-methylphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-9148 |
| Compound Name: | 2-amino-1-(4-methylphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cc1ccc(cc1)N1C2CCCC(C=2C(C(C#N)=C1N)c1ccc([N+]([O-])=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.47 |
| logD: | 3.47 |
| logSw: | -3.942 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.128 |
| InChI Key: | DVMXMGPKRQGTGN-IBGZPJMESA-N |