6-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridazin-3(2H)-one
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridazin-3(2H)-one
6-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridazin-3(2H)-one
Compound characteristics
Compound ID: | F839-0170 |
Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridazin-3(2H)-one |
Molecular Weight: | 418.41 |
Molecular Formula: | C22 H18 N4 O5 |
Smiles: | CCOc1ccc(cc1)c1nc(CN2C(C=CC(c3ccc4c(c3)OCO4)=N2)=O)on1 |
Stereo: | ACHIRAL |
logP: | 4.1324 |
logD: | 4.1324 |
logSw: | -4.2857 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 84.13 |
InChI Key: | FQBDEISPUAAKNJ-UHFFFAOYSA-N |