2-(2-methylpropyl)-7-{[(5-methyl-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-(2-methylpropyl)-7-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(2-methylpropyl)-7-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0167 |
| Compound Name: | 2-(2-methylpropyl)-7-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 336.44 |
| Molecular Formula: | C13 H16 N6 O S2 |
| Smiles: | CC(C)CC1=NN2C(=NC(CSc3nnc(C)[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.7163 |
| logD: | 1.2971 |
| logSw: | -2.2334 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.566 |
| InChI Key: | FYXVPRCBZQXBJC-UHFFFAOYSA-N |