6-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
6-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
6-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | D112-0173 |
| Compound Name: | 6-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 336.79 |
| Molecular Formula: | C15 H13 Cl N2 O3 S |
| Smiles: | Cc1ccc(cc1NC(CSc1ccc(cn1)C(O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9411 |
| logD: | 0.0662 |
| logSw: | -3.2888 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.325 |
| InChI Key: | ZTLCKBJATUVNQE-UHFFFAOYSA-N |