7-{[(5-phenyl-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-phenyl-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-phenyl-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: | G072-0070 |
| Compound Name: | 7-{[(5-phenyl-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: | 384.48 |
| Molecular Formula: | C17 H16 N6 O S2 |
| Smiles: | CC(C)C1=NN2C(=NC(CSc3nnc(c4ccccc4)[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.9909 |
| logD: | 1.7992 |
| logSw: | -3.379 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.778 |
| InChI Key: | ILVRWLLAYLLPCB-UHFFFAOYSA-N |