2-(methylsulfanyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(methylsulfanyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(methylsulfanyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D718-0597 |
| Compound Name: | 2-(methylsulfanyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 306.36 |
| Molecular Formula: | C11 H10 N6 O S2 |
| Smiles: | CSc1nc2NC(CSc3ncccn3)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1693 |
| logD: | 0.226 |
| logSw: | -2.3426 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.22 |
| InChI Key: | FOWBSFVRPIRZSV-UHFFFAOYSA-N |