7-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G565-0542 |
| Compound Name: | 7-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C19 H20 N6 O S2 |
| Smiles: | CC(C)CC1=NN2C(=NC(CSc3nnc(c4ccccc4)n3C)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7365 |
| logD: | 3.7353 |
| logSw: | -4.0508 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.258 |
| InChI Key: | IDGICHPZGZZHFL-UHFFFAOYSA-N |