ethyl 4-[(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carbonyl)amino]benzoate
ethyl 4-[(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | L161-0068 |
| Compound Name: | ethyl 4-[(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carbonyl)amino]benzoate |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(c1ccc(nc1)SCCN1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1091 |
| logD: | 2.6899 |
| logSw: | -3.766 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.293 |
| InChI Key: | JPUFXGJUUWNSTK-UHFFFAOYSA-N |