1-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-0418 |
| Compound Name: | 1-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 400.3 |
| Molecular Formula: | C17 H12 N4 O8 |
| Smiles: | CC(N1C(c2cc3c(cc2[N+]([O-])=O)OCO3)OC(c2cccc(c2)[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8773 |
| logD: | 2.8773 |
| logSw: | -3.4405 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 118.829 |
| InChI Key: | HAZACZQNQMAARI-KRWDZBQOSA-N |