2-amino-1-(2-methyl-5-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2-methyl-5-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2-methyl-5-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-2177 |
| Compound Name: | 2-amino-1-(2-methyl-5-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C21 H17 N5 O5 S |
| Smiles: | Cc1ccc(cc1N1C2CCCC(C=2C(C(C#N)=C1N)c1ccc([N+]([O-])=O)s1)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6181 |
| logD: | 3.6181 |
| logSw: | -4.0704 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.209 |
| InChI Key: | QDCXTIXLWLVILH-IBGZPJMESA-N |