2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | K786-0163 |
| Compound Name: | 2-{[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)Sc1c(cccn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3306 |
| logD: | 0.2324 |
| logSw: | -3.0472 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.006 |
| InChI Key: | QBKSSTOECAIKJL-UHFFFAOYSA-N |