3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]pyridazin-4(1H)-one
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]pyridazin-4(1H)-one
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]pyridazin-4(1H)-one
Compound characteristics
| Compound ID: | M115-0791 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]pyridazin-4(1H)-one |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C20 H14 N4 O4 S |
| Smiles: | CSc1cccc(c1)N1C=CC(C(c2nc(c3ccc4c(c3)OCO4)no2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1239 |
| logD: | 4.1239 |
| logSw: | -4.383 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.17 |
| InChI Key: | SBYRYTSUVVBONZ-UHFFFAOYSA-N |