2-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
2-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | K786-0141 |
| Compound Name: | 2-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 316.38 |
| Molecular Formula: | C16 H16 N2 O3 S |
| Smiles: | CCc1ccccc1NC(CSc1c(cccn1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7794 |
| logD: | 0.6812 |
| logSw: | -3.3412 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.006 |
| InChI Key: | ZMDCYUXVHWESOA-UHFFFAOYSA-N |