3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6743 |
| Compound Name: | 3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 330.36 |
| Molecular Formula: | C15 H14 N4 O3 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3803 |
| logD: | 1.3642 |
| logSw: | -2.2573 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.488 |
| InChI Key: | TXEGZWNIKLLBFC-UHFFFAOYSA-N |