4-[3-acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate
Chemical Structure Depiction of
4-[3-acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate
4-[3-acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate
Compound characteristics
| Compound ID: | G642-1738 |
| Compound Name: | 4-[3-acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate |
| Molecular Weight: | 466.45 |
| Molecular Formula: | C22 H22 N6 O6 |
| Smiles: | CC(N1C(C)(c2ccc(cc2OC(C)=O)OC(C)=O)OC(c2nc3nc(C)cc(C)n3n2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8178 |
| logD: | 0.8178 |
| logSw: | -2.1246 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 106.562 |
| InChI Key: | SHNBTPDSLOMLGB-QFIPXVFZSA-N |