2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-6-(4-ethoxyphenyl)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-6-(4-ethoxyphenyl)pyridazin-3(2H)-one
2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-6-(4-ethoxyphenyl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F839-0249 |
| Compound Name: | 2-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-6-(4-ethoxyphenyl)pyridazin-3(2H)-one |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C22 H18 N4 O5 |
| Smiles: | CCOc1ccc(cc1)C1C=CC(N(Cc2nc(c3ccc4c(c3)OCO4)no2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1741 |
| logD: | 4.1741 |
| logSw: | -4.2989 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 84.13 |
| InChI Key: | CBOMHSFGVWATAK-UHFFFAOYSA-N |