2-methyl-7-{[(5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-methyl-7-{[(5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-methyl-7-{[(5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0040 |
| Compound Name: | 2-methyl-7-{[(5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 322.41 |
| Molecular Formula: | C12 H14 N6 O S2 |
| Smiles: | CCCc1nnc([nH]1)SCC1=CC(N2C(=N1)SC(C)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5812 |
| logD: | 1.2519 |
| logSw: | -1.9754 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.213 |
| InChI Key: | NORUKLROFOVXJM-UHFFFAOYSA-N |