2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | K786-0171 |
| Compound Name: | 2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 308.4 |
| Molecular Formula: | C15 H20 N2 O3 S |
| Smiles: | CCC1CCCCN1C(CSc1c(cccn1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.274 |
| logD: | 0.1758 |
| logSw: | -2.4312 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.593 |
| InChI Key: | XHCNJPZKMGZQCF-NSHDSACASA-N |