1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | F076-0594 |
| Compound Name: | 1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 493.39 |
| Molecular Formula: | C22 H15 N5 O9 |
| Smiles: | CC(N1C(c2ccc(cc2)Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2778 |
| logD: | 4.2778 |
| logSw: | -4.5151 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 141.929 |
| InChI Key: | XIQJMZSAXIHOGW-QFIPXVFZSA-N |