2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-6-[4-(propan-2-yl)phenyl]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-(propan-2-yl)phenyl]pyridazin-3(2H)-one
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-6-[4-(propan-2-yl)phenyl]pyridazin-3(2H)-one
Compound characteristics
Compound ID: | M455-1041 |
Compound Name: | 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-6-[4-(propan-2-yl)phenyl]pyridazin-3(2H)-one |
Molecular Weight: | 430.46 |
Molecular Formula: | C24 H22 N4 O4 |
Smiles: | CC(C)c1ccc(cc1)C1C=CC(N(CCc2nc(c3ccc4c(c3)OCO4)no2)N=1)=O |
Stereo: | ACHIRAL |
logP: | 5.3961 |
logD: | 5.3961 |
logSw: | -5.4837 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 76.984 |
InChI Key: | QVJHERLGWUPLRP-UHFFFAOYSA-N |