3-(benzylsulfanyl)-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-(benzylsulfanyl)-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-(benzylsulfanyl)-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6815 |
| Compound Name: | 3-(benzylsulfanyl)-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 334.4 |
| Molecular Formula: | C18 H14 N4 O S |
| Smiles: | C(c1ccccc1)Sc1nnc2NC(C=C(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9257 |
| logD: | 2.9188 |
| logSw: | -3.4034 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.835 |
| InChI Key: | NQTPWBAUKNOFQI-UHFFFAOYSA-N |