6-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid

Chemical Structure Depiction of
6-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Available: 6 mg
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mg
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Compound characteristics

Compound ID: D112-0171
Compound Name: 6-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Molecular Weight: 360.43
Molecular Formula: C18 H20 N2 O4 S
Smiles: CCCCOc1ccc(cc1)NC(CSc1ccc(cn1)C(O)=O)=O
Stereo: ACHIRAL
logP: 3.9163
logD: 1.0414
logSw: -3.742
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 67.441
InChI Key: VRBZXXHJNCYARH-UHFFFAOYSA-N
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