3-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6863 |
| Compound Name: | 3-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C20 H24 N6 O2 S |
| Smiles: | CCCC1=CC(Nc2nnc(n12)SCC(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2133 |
| logD: | 2.1979 |
| logSw: | -2.6353 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.711 |
| InChI Key: | NCMSYILVZUZPJH-UHFFFAOYSA-N |