1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
Compound ID: | F076-0596 |
Compound Name: | 1-{2-[4-(2,4-dinitrophenoxy)phenyl]-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
Molecular Weight: | 449.38 |
Molecular Formula: | C21 H15 N5 O7 |
Smiles: | CC(N1C(c2ccc(cc2)Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)OC(c2cccnc2)=N1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.0211 |
logD: | 3.021 |
logSw: | -3.2472 |
Hydrogen bond acceptors count: | 14 |
Polar surface area: | 118.066 |
InChI Key: | HAYMCAHSVYWJKJ-NRFANRHFSA-N |