2-amino-1-(4-chlorophenyl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-chlorophenyl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-chlorophenyl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
Compound ID: | 4306-0020 |
Compound Name: | 2-amino-1-(4-chlorophenyl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
Molecular Weight: | 470.05 |
Molecular Formula: | C24 H24 Cl N3 O S2 |
Smiles: | CCc1cc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2ccc(cc2)[Cl])c(SCC)s1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.7347 |
logD: | 5.7347 |
logSw: | -5.793 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 53.395 |
InChI Key: | RRASEUPMHHBRMM-NRFANRHFSA-N |