6-(4-methylphenyl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one
Chemical Structure Depiction of
6-(4-methylphenyl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one
6-(4-methylphenyl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one
Compound characteristics
Compound ID: | M455-0069 |
Compound Name: | 6-(4-methylphenyl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one |
Molecular Weight: | 404.49 |
Molecular Formula: | C22 H20 N4 O2 S |
Smiles: | Cc1ccc(cc1)C1C=CC(N(CCc2nc(c3ccc(cc3)SC)no2)N=1)=O |
Stereo: | ACHIRAL |
logP: | 5.28 |
logD: | 5.28 |
logSw: | -5.1439 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 59.869 |
InChI Key: | MZVDDTCKPFPBQP-UHFFFAOYSA-N |