6-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
6-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
6-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
Compound ID: | D112-0162 |
Compound Name: | 6-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
Molecular Weight: | 322.77 |
Molecular Formula: | C14 H11 Cl N2 O3 S |
Smiles: | C(C(Nc1ccccc1[Cl])=O)Sc1ccc(cn1)C(O)=O |
Stereo: | ACHIRAL |
logP: | 2.5348 |
logD: | -0.3402 |
logSw: | -3.0372 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 59.325 |
InChI Key: | PDDLCQFDHFYQJN-UHFFFAOYSA-N |