2-{[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(4-methylphenyl)[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-(4-methylphenyl)[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-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | M453-0652 |
| Compound Name: | 2-{[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 481.28 |
| Molecular Formula: | C21 H14 Br F N6 O2 |
| Smiles: | Cc1ccc(cc1)C1C=CC2=NN(Cc3nc(c4ccc(c(c4)[Br])F)no3)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.594 |
| logD: | 5.594 |
| logSw: | -5.3992 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 76.1 |
| InChI Key: | QIXXFNJXNDFCEH-UHFFFAOYSA-N |