6-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-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-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridazin-3(2H)-one
6-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F839-0155 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridazin-3(2H)-one |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C21 H16 N4 O5 |
| Smiles: | COc1ccc(cc1)c1nc(CN2C(C=CC(c3ccc4c(c3)OCO4)=N2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7458 |
| logD: | 3.7458 |
| logSw: | -4.2312 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 84.55 |
| InChI Key: | KCSHWKNITMIHSM-UHFFFAOYSA-N |