2-(pentan-3-yl)-7-{[(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-{[(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-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0284 |
| Compound Name: | 2-(pentan-3-yl)-7-{[(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: | CCC(CC)C1=NN2C(=NC(CSc3nnc[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.8937 |
| logD: | 1.5392 |
| logSw: | -2.1111 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.696 |
| InChI Key: | RYDBKXWESSJKKV-UHFFFAOYSA-N |