2-amino-1-(4-chloro-2-nitrophenyl)-4-[2-(ethylsulfanyl)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-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-chloro-2-nitrophenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0039 |
| Compound Name: | 2-amino-1-(4-chloro-2-nitrophenyl)-4-[2-(ethylsulfanyl)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: | CCSc1c(ccs1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccc(cc1[N+]([O-])=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5669 |
| logD: | 4.5669 |
| logSw: | -4.7546 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.175 |
| InChI Key: | OBXLDXXBGSHCRE-IBGZPJMESA-N |