5-methyl-3-[(2-oxo-2-phenylethyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
5-methyl-3-[(2-oxo-2-phenylethyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
5-methyl-3-[(2-oxo-2-phenylethyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6077 |
| Compound Name: | 5-methyl-3-[(2-oxo-2-phenylethyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 300.34 |
| Molecular Formula: | C14 H12 N4 O2 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2929 |
| logD: | 1.2768 |
| logSw: | -2.204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.944 |
| InChI Key: | DSMDNEWMNOZILW-UHFFFAOYSA-N |