2-({[4-(methylsulfanyl)phenyl]methyl}amino)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-({[4-(methylsulfanyl)phenyl]methyl}amino)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-({[4-(methylsulfanyl)phenyl]methyl}amino)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0352 |
| Compound Name: | 2-({[4-(methylsulfanyl)phenyl]methyl}amino)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C16 H19 N5 O S |
| Smiles: | CCCC1=CC(n2c(N1)nc(NCc1ccc(cc1)SC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1231 |
| logD: | 2.7243 |
| logSw: | -3.3404 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.981 |
| InChI Key: | FRTOOJMOSVQMQH-UHFFFAOYSA-N |