2-amino-1-(4-chloro-2-nitrophenyl)-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-chloro-2-nitrophenyl)-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-chloro-2-nitrophenyl)-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0037 |
| Compound Name: | 2-amino-1-(4-chloro-2-nitrophenyl)-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 487 |
| Molecular Formula: | C22 H19 Cl N4 O3 S2 |
| Smiles: | Cc1cc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2ccc(cc2[N+]([O-])=O)[Cl])c(SC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7667 |
| logD: | 4.7667 |
| logSw: | -4.8728 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.175 |
| InChI Key: | CXGOISIWZNDEFV-IBGZPJMESA-N |