6-{[2-(piperidin-1-yl)ethyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(piperidin-1-yl)ethyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
6-{[2-(piperidin-1-yl)ethyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
Compound characteristics
| Compound ID: | L161-0058 |
| Compound Name: | 6-{[2-(piperidin-1-yl)ethyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(c1ccc(nc1)SCCN1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8883 |
| logD: | 1.4691 |
| logSw: | -3.3428 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.517 |
| InChI Key: | XMRYUGSMPVMQDN-UHFFFAOYSA-N |