2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | K786-0177 |
| Compound Name: | 2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C16 H16 N2 O5 S |
| Smiles: | COc1ccc(c(c1)NC(CSc1c(cccn1)C(O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9632 |
| logD: | -0.135 |
| logSw: | -2.7687 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.18 |
| InChI Key: | JYRIISMWOMBQKI-UHFFFAOYSA-N |