2-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | Y020-2493 |
| Compound Name: | 2-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 336.37 |
| Molecular Formula: | C16 H12 N6 O S |
| Smiles: | C(C1=CC(n2c(N1)nc(c1ccccc1)n2)=O)Sc1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.1567 |
| logD: | 1.986 |
| logSw: | -2.7064 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.226 |
| InChI Key: | KTIPBKUTYOBNOE-UHFFFAOYSA-N |