2-(pentan-3-yl)-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-(pentan-3-yl)-7-{[(5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(pentan-3-yl)-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: | G072-0298 |
| Compound Name: | 2-(pentan-3-yl)-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: | 378.52 |
| Molecular Formula: | C16 H22 N6 O S2 |
| Smiles: | CCCc1nnc([nH]1)SCC1=CC(N2C(=N1)SC(C(CC)CC)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3262 |
| logD: | 2.9969 |
| logSw: | -3.3934 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.04 |
| InChI Key: | OKIIXXGYKCSMOM-UHFFFAOYSA-N |