1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(3-fluorophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(3-fluorophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(3-fluorophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | F076-0590 |
| Compound Name: | 1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(3-fluorophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 466.38 |
| Molecular Formula: | C22 H15 F N4 O7 |
| Smiles: | CC(N1C(c2ccc(cc2)Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)OC(c2cccc(c2)F)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4491 |
| logD: | 4.4491 |
| logSw: | -4.6086 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 108.548 |
| InChI Key: | QLSPHBYOUWRVCX-JOCHJYFZSA-N |