1-[5-(2H-1,3-benzodioxol-5-yl)-2-(2-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(2H-1,3-benzodioxol-5-yl)-2-(2-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-2-(2-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G642-6397 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-2-(2-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 355.3 |
| Molecular Formula: | C17 H13 N3 O6 |
| Smiles: | CC(N1C(c2ccccc2[N+]([O-])=O)OC(c2ccc3c(c2)OCO3)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9796 |
| logD: | 2.9796 |
| logSw: | -3.4496 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.447 |
| InChI Key: | SCYQNNYUDAZPQJ-KRWDZBQOSA-N |