6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one
6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | M455-0301 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C22 H18 N4 O4 S |
| Smiles: | CSc1ccc(cc1)c1nc(CCN2C(C=CC(c3ccc4c(c3)OCO4)=N2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.7355 |
| logD: | 4.7355 |
| logSw: | -4.574 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.984 |
| InChI Key: | ZEWRXCAEISDDEW-UHFFFAOYSA-N |