5-{[(4-chlorophenyl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-{[(4-chlorophenyl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-{[(4-chlorophenyl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | 6456-0641 |
| Compound Name: | 5-{[(4-chlorophenyl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 292.74 |
| Molecular Formula: | C12 H9 Cl N4 O S |
| Smiles: | C(C1=CC(n2c(N1)ncn2)=O)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3771 |
| logD: | 1.01 |
| logSw: | -3.1758 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.281 |
| InChI Key: | UHVSESYRISYLJU-UHFFFAOYSA-N |