1-[5-(3-bromophenyl)-2-[4-(2,4-dinitrophenoxy)phenyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(3-bromophenyl)-2-[4-(2,4-dinitrophenoxy)phenyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-(3-bromophenyl)-2-[4-(2,4-dinitrophenoxy)phenyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-0588 |
| Compound Name: | 1-[5-(3-bromophenyl)-2-[4-(2,4-dinitrophenoxy)phenyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 527.29 |
| Molecular Formula: | C22 H15 Br N4 O7 |
| Smiles: | CC(N1C(c2ccc(cc2)Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)OC(c2cccc(c2)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1752 |
| logD: | 5.1752 |
| logSw: | -5.2687 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 108.548 |
| InChI Key: | NCFWCBKBJPUKCC-JOCHJYFZSA-N |