6-{[2-(3-ethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
6-{[2-(3-ethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
6-{[2-(3-ethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | D112-0159 |
| Compound Name: | 6-{[2-(3-ethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C16 H16 N2 O4 S |
| Smiles: | CCOc1cccc(c1)NC(CSc1ccc(cn1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9379 |
| logD: | 0.063 |
| logSw: | -3.2359 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.146 |
| InChI Key: | UQCOCZQPQTZJBV-UHFFFAOYSA-N |