2-amino-4-{1-[(2,6-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{1-[(2,6-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-{1-[(2,6-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-9246 |
| Compound Name: | 2-amino-4-{1-[(2,6-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 611.49 |
| Molecular Formula: | C32 H24 Cl2 N6 O3 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2ccccc2[N+]([O-])=O)c2cn(Cc3c(cccc3[Cl])[Cl])nc2c2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7174 |
| logD: | 5.7174 |
| logSw: | -5.9076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.937 |
| InChI Key: | BKYMKLUIMCNFRW-LJAQVGFWSA-N |