6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | D112-0151 |
| Compound Name: | 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 322.77 |
| Molecular Formula: | C14 H11 Cl N2 O3 S |
| Smiles: | C(C(Nc1cccc(c1)[Cl])=O)Sc1ccc(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2375 |
| logD: | 0.3626 |
| logSw: | -3.5427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.023 |
| InChI Key: | DCQYQBZFKGSTGA-UHFFFAOYSA-N |