2-amino-1-(2-chloro-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-chloro-5-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2-chloro-5-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7863 |
| Compound Name: | 2-amino-1-(2-chloro-5-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 471.88 |
| Molecular Formula: | C20 H14 Cl N5 O5 S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2cc(ccc2[Cl])[N+]([O-])=O)c2ccc([N+]([O-])=O)s2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5833 |
| logD: | 3.5833 |
| logSw: | -4.024 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.209 |
| InChI Key: | XZQAHBACGNSMOM-GOSISDBHSA-N |