2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | K781-5580 |
| Compound Name: | 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 336.79 |
| Molecular Formula: | C15 H13 Cl N2 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1c(cccn1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.67 |
| logD: | 1.5718 |
| logSw: | -3.7525 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.704 |
| InChI Key: | FKXWFNFGACCQMX-UHFFFAOYSA-N |