3-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6862 |
| Compound Name: | 3-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C16 H23 N5 O2 S |
| Smiles: | CCCC1=CC(Nc2nnc(n12)SCC(N1CCC(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9084 |
| logD: | 1.893 |
| logSw: | -2.495 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.451 |
| InChI Key: | XSBPQDCAYCTRJH-UHFFFAOYSA-N |