2-{[(4-methylphenyl)methyl]sulfanyl}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-methylphenyl)methyl]sulfanyl}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-methylphenyl)methyl]sulfanyl}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D718-0303 |
| Compound Name: | 2-{[(4-methylphenyl)methyl]sulfanyl}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 314.41 |
| Molecular Formula: | C16 H18 N4 O S |
| Smiles: | CCCC1=CC(n2c(N1)nc(n2)SCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5236 |
| logD: | 2.5415 |
| logSw: | -3.6655 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.063 |
| InChI Key: | ICHWHEIWYOQHGF-UHFFFAOYSA-N |