4,6-dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile

Chemical Structure Depiction of
4,6-dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
Available: 3 mg
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mg
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Compound characteristics

Compound ID: 3076-0104
Compound Name: 4,6-dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
Molecular Weight: 327.36
Molecular Formula: C16 H13 N3 O3 S
Smiles: Cc1cc(C)nc(c1C#N)SCC(c1ccc(cc1)[N+]([O-])=O)=O
Stereo: ACHIRAL
logP: 3.212
logD: 3.212
logSw: -3.434
Hydrogen bond acceptors count: 9
Polar surface area: 72.205
InChI Key: JOKWNXADABKPAG-UHFFFAOYSA-N
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