6-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
6-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
6-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | D112-0146 |
| Compound Name: | 6-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 352.79 |
| Molecular Formula: | C15 H13 Cl N2 O4 S |
| Smiles: | COc1ccc(cc1NC(CSc1ccc(cn1)C(O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7369 |
| logD: | -0.1381 |
| logSw: | -3.3631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.955 |
| InChI Key: | XMYZLTXLDRMRAM-UHFFFAOYSA-N |