2-[4-acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-bromo-6-nitrophenyl acetate
Chemical Structure Depiction of
2-[4-acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-bromo-6-nitrophenyl acetate
2-[4-acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-bromo-6-nitrophenyl acetate
Compound characteristics
| Compound ID: | G642-6325 |
| Compound Name: | 2-[4-acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-bromo-6-nitrophenyl acetate |
| Molecular Weight: | 518.28 |
| Molecular Formula: | C19 H16 Br N7 O6 |
| Smiles: | CC(N1C(c2nc3nc(C)cc(C)n3n2)OC(c2cc(cc(c2OC(C)=O)[N+]([O-])=O)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0784 |
| logD: | 2.0784 |
| logSw: | -2.5477 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 119.847 |
| InChI Key: | ZGSXBUZYAQWBIP-GOSISDBHSA-N |