2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-6-(3-methoxyphenyl)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-6-(3-methoxyphenyl)pyridazin-3(2H)-one
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-6-(3-methoxyphenyl)pyridazin-3(2H)-one
Compound characteristics
Compound ID: | M455-0547 |
Compound Name: | 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-6-(3-methoxyphenyl)pyridazin-3(2H)-one |
Molecular Weight: | 418.41 |
Molecular Formula: | C22 H18 N4 O5 |
Smiles: | COc1cccc(c1)C1C=CC(N(CCc2nc(c3ccc4c(c3)OCO4)no2)N=1)=O |
Stereo: | ACHIRAL |
logP: | 4.0766 |
logD: | 4.0766 |
logSw: | -4.3368 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 84.528 |
InChI Key: | ZWDFUOVHFNADJW-UHFFFAOYSA-N |