2-amino-1-(4-chloro-3-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-3-nitrophenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Available: 90 mg
Amount:
mg
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Compound characteristics

Compound ID: 4306-0075
Compound Name: 2-amino-1-(4-chloro-3-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(c(c1)[N+]([O-])=O)[Cl]
Stereo: RACEMIC MIXTURE
logP: 4.4285
logD: 4.4285
logSw: -4.5959
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 86.476
InChI Key: XAPLFXBNLYSTRX-IBGZPJMESA-N
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