1-[5-(3,5-dinitrophenyl)-2-(3-phenoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(3,5-dinitrophenyl)-2-(3-phenoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-(3,5-dinitrophenyl)-2-(3-phenoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-0899 |
| Compound Name: | 1-[5-(3,5-dinitrophenyl)-2-(3-phenoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 448.39 |
| Molecular Formula: | C22 H16 N4 O7 |
| Smiles: | CC(N1C(c2cccc(c2)Oc2ccccc2)OC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.723 |
| logD: | 4.723 |
| logSw: | -4.71 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 108.762 |
| InChI Key: | VKXOTWMLWOGJQJ-JOCHJYFZSA-N |