2-{[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-{[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
2-{[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | M453-0594 |
| Compound Name: | 2-{[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 467.26 |
| Molecular Formula: | C20 H12 Br F N6 O2 |
| Smiles: | C(c1nc(c2ccc(c(c2)[Br])F)no1)N1C(N2C(C=CC(c3ccccc3)=N2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0656 |
| logD: | 5.0656 |
| logSw: | -5.1209 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 76.1 |
| InChI Key: | IVRHXZASXXGZPP-UHFFFAOYSA-N |