6-(3-bromophenyl)-2-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridazin-3(2H)-one
Chemical Structure Depiction of
6-(3-bromophenyl)-2-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridazin-3(2H)-one
6-(3-bromophenyl)-2-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridazin-3(2H)-one
Compound characteristics
Compound ID: | F839-0119 |
Compound Name: | 6-(3-bromophenyl)-2-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridazin-3(2H)-one |
Molecular Weight: | 483.32 |
Molecular Formula: | C22 H19 Br N4 O4 |
Smiles: | CCOc1ccc(cc1OC)c1nc(CN2C(C=CC(c3cccc(c3)[Br])=N2)=O)on1 |
Stereo: | ACHIRAL |
logP: | 4.658 |
logD: | 4.658 |
logSw: | -4.5412 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 74.731 |
InChI Key: | GXMZUIHQFHWTOA-UHFFFAOYSA-N |