6-phenyl-2-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-phenyl-2-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
6-phenyl-2-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | M453-0577 |
| Compound Name: | 6-phenyl-2-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 460.45 |
| Molecular Formula: | C23 H20 N6 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(CN2C(N3C(C=CC(c4ccccc4)=N3)=N2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.6902 |
| logD: | 3.6902 |
| logSw: | -4.0377 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 99.078 |
| InChI Key: | UHKJTWBTVWNSDE-UHFFFAOYSA-N |