7-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0168 |
| Compound Name: | 7-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 350.46 |
| Molecular Formula: | C14 H18 N6 O S2 |
| Smiles: | CCc1nnc([nH]1)SCC1=CC(N2C(=N1)SC(CC(C)C)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2282 |
| logD: | 1.8988 |
| logSw: | -2.3286 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.943 |
| InChI Key: | DZIRNGTVBBKKGV-UHFFFAOYSA-N |