2-amino-1-(4-methoxy-2-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-methoxy-2-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-methoxy-2-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-0863 |
| Compound Name: | 2-amino-1-(4-methoxy-2-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 467.46 |
| Molecular Formula: | C21 H17 N5 O6 S |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)N1C2CCCC(C=2C(C(C#N)=C1N)c1ccc([N+]([O-])=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1995 |
| logD: | 3.1995 |
| logSw: | -3.7685 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 127.452 |
| InChI Key: | LPTBIGHKTYETPD-IBGZPJMESA-N |