2-cyclopropyl-7-({[5-(4-methylphenyl)-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-cyclopropyl-7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-cyclopropyl-7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0245 |
| Compound Name: | 2-cyclopropyl-7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C18 H16 N6 O S2 |
| Smiles: | Cc1ccc(cc1)c1nnc([nH]1)SCC1=CC(N2C(=N1)SC(C1CC1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3143 |
| logD: | 2.1377 |
| logSw: | -3.5043 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.029 |
| InChI Key: | HQKMJYLHLWJQQF-UHFFFAOYSA-N |