7-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(propan-2-yl)-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-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0082 |
| Compound Name: | 7-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 336.44 |
| Molecular Formula: | C13 H16 N6 O S2 |
| Smiles: | CCc1nnc([nH]1)SCC1=CC(N2C(=N1)SC(C(C)C)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8367 |
| logD: | 1.5073 |
| logSw: | -2.1473 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.04 |
| InChI Key: | FKIYHCNAPHJTDY-UHFFFAOYSA-N |