2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-6-(4-methylphenyl)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-(4-methylphenyl)pyridazin-3(2H)-one
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-6-(4-methylphenyl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | M455-0095 |
| Compound Name: | 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-6-(4-methylphenyl)pyridazin-3(2H)-one |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C22 H18 N4 O4 |
| Smiles: | Cc1ccc(cc1)C1C=CC(N(CCc2nc(c3ccc4c(c3)OCO4)no2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4813 |
| logD: | 4.4813 |
| logSw: | -4.3789 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 76.984 |
| InChI Key: | UANHBEYRASICQF-UHFFFAOYSA-N |