7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-1761 |
| Compound Name: | 7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 398.51 |
| Molecular Formula: | C18 H18 N6 O S2 |
| Smiles: | CCCC1=NN2C(=NC(CSc3nnc(c4ccc(C)cc4)[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.6019 |
| logD: | 2.4253 |
| logSw: | -3.6404 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.681 |
| InChI Key: | UIJYEOMFJBPXKM-UHFFFAOYSA-N |