1-[5-(3,5-dinitrophenyl)-2-(4-methoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(3,5-dinitrophenyl)-2-(4-methoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-(3,5-dinitrophenyl)-2-(4-methoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-1032 |
| Compound Name: | 1-[5-(3,5-dinitrophenyl)-2-(4-methoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 386.32 |
| Molecular Formula: | C17 H14 N4 O7 |
| Smiles: | CC(N1C(c2ccc(cc2)OC)OC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0931 |
| logD: | 3.0931 |
| logSw: | -3.4022 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 109.558 |
| InChI Key: | VTJBFQXXQDHHRE-QGZVFWFLSA-N |