5-{[(4-methylphenyl)sulfanyl]methyl}-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-{[(4-methylphenyl)sulfanyl]methyl}-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-{[(4-methylphenyl)sulfanyl]methyl}-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | Y020-1909 |
| Compound Name: | 5-{[(4-methylphenyl)sulfanyl]methyl}-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C18 H15 N5 O S |
| Smiles: | Cc1ccc(cc1)SCC1=CC(n2c(N1)nc(c1cccnc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8732 |
| logD: | 2.4569 |
| logSw: | -3.1006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.587 |
| InChI Key: | FXYCQQFFLNFNFS-UHFFFAOYSA-N |