3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6819 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cc1ccc(C)c(CSc2nnc3NC(C=C(c4ccccc4)n23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4308 |
| logD: | 4.4239 |
| logSw: | -4.2337 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.835 |
| InChI Key: | SILYDQXQLYVKQL-UHFFFAOYSA-N |