2-amino-7,7-dimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Available: 61 mg
Amount:
mg
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Compound characteristics

Compound ID: 4306-0259
Compound Name: 2-amino-7,7-dimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Molecular Weight: 480.61
Molecular Formula: C24 H24 N4 O3 S2
Smiles: Cc1cc(C2C(C#N)=C(N)N(C3CC(C)(C)CC(C2=3)=O)c2cccc(c2)[N+]([O-])=O)c(SC)s1
Stereo: RACEMIC MIXTURE
logP: 4.8454
logD: 4.8454
logSw: -4.8609
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 86.777
InChI Key: QIIIJOPLGOTBET-HXUWFJFHSA-N
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