6-{[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
6-{[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
6-{[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | D112-0174 |
| Compound Name: | 6-{[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C16 H15 N3 O4 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSc1ccc(cn1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6852 |
| logD: | -1.1897 |
| logSw: | -2.1437 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.285 |
| InChI Key: | STXRKVHJUKDUHE-UHFFFAOYSA-N |