1-[2-(2H-1,3-benzodioxol-5-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-(2H-1,3-benzodioxol-5-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[2-(2H-1,3-benzodioxol-5-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-0907 |
| Compound Name: | 1-[2-(2H-1,3-benzodioxol-5-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 400.3 |
| Molecular Formula: | C17 H12 N4 O8 |
| Smiles: | CC(N1C(c2ccc3c(c2)OCO3)OC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.041 |
| logD: | 3.041 |
| logSw: | -3.2773 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 119.13 |
| InChI Key: | MVROVIOVSRODOC-QGZVFWFLSA-N |