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