2-[3-acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-nitrophenyl acetate
Chemical Structure Depiction of
2-[3-acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-nitrophenyl acetate
2-[3-acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-nitrophenyl acetate
Compound characteristics
| Compound ID: | G642-1716 |
| Compound Name: | 2-[3-acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-nitrophenyl acetate |
| Molecular Weight: | 439.39 |
| Molecular Formula: | C19 H17 N7 O6 |
| Smiles: | CC(N1C(c2cc(ccc2OC(C)=O)[N+]([O-])=O)OC(c2nc3nc(C)cc(C)n3n2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2781 |
| logD: | 1.2781 |
| logSw: | -2.0972 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 120.062 |
| InChI Key: | BYHYPWKKLNCDCO-SFHVURJKSA-N |