3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6075 |
| Compound Name: | 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 334.78 |
| Molecular Formula: | C14 H11 Cl N4 O2 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9927 |
| logD: | 1.9765 |
| logSw: | -2.9846 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.944 |
| InChI Key: | IESXSRIPFRNEEC-UHFFFAOYSA-N |