6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | D112-0145 |
| Compound Name: | 6-{[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(CSc1ccc(cn1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4146 |
| logD: | 0.5397 |
| logSw: | -3.4522 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.023 |
| InChI Key: | LQENQVWOVOHPLI-UHFFFAOYSA-N |