2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | K786-0183 |
| Compound Name: | 2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 316.38 |
| Molecular Formula: | C16 H16 N2 O3 S |
| Smiles: | CCc1ccc(cc1)NC(CSc1c(cccn1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2105 |
| logD: | 1.1123 |
| logSw: | -3.4649 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.704 |
| InChI Key: | FWZLCQUCLVZMGD-UHFFFAOYSA-N |