1-[5-(5-bromo-2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(5-bromo-2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-(5-bromo-2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G642-5811 |
| Compound Name: | 1-[5-(5-bromo-2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 450.24 |
| Molecular Formula: | C18 H16 Br N3 O6 |
| Smiles: | CC(N1C(c2cccc(c2)[N+]([O-])=O)OC(c2cc(c(cc2OC)OC)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8828 |
| logD: | 3.8828 |
| logSw: | -4.0674 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.894 |
| InChI Key: | CGSBINJXHSKZDE-GOSISDBHSA-N |