6-benzyl-2-(ethylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-2-(ethylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-2-(ethylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | 8563-0672 |
| Compound Name: | 6-benzyl-2-(ethylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 300.38 |
| Molecular Formula: | C15 H16 N4 O S |
| Smiles: | CCSc1nc2NC(C)=C(Cc3ccccc3)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1812 |
| logD: | 3.0746 |
| logSw: | -3.2323 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.974 |
| InChI Key: | LPFPUSHHMXYHHF-UHFFFAOYSA-N |