1-{2-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{2-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | F076-0576 |
| Compound Name: | 1-{2-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 479.4 |
| Molecular Formula: | C22 H17 N5 O8 |
| Smiles: | CC(N1C(c2ccc(c(c2)OC)Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)OC(c2cccnc2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0879 |
| logD: | 3.0878 |
| logSw: | -3.2865 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 125.783 |
| InChI Key: | MMNRAFOITKAFSJ-QFIPXVFZSA-N |