5-{[(4-methylphenyl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-{[(4-methylphenyl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-{[(4-methylphenyl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | 6456-0640 |
| Compound Name: | 5-{[(4-methylphenyl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 272.33 |
| Molecular Formula: | C13 H12 N4 O S |
| Smiles: | Cc1ccc(cc1)SCC1=CC(n2c(N1)ncn2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2057 |
| logD: | 0.8386 |
| logSw: | -2.7061 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.281 |
| InChI Key: | KZLDPZYMEJCERP-UHFFFAOYSA-N |