6-(4-methylphenyl)-2-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-(4-methylphenyl)-2-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
6-(4-methylphenyl)-2-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | M453-0654 |
| Compound Name: | 6-(4-methylphenyl)-2-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 452.39 |
| Molecular Formula: | C22 H15 F3 N6 O2 |
| Smiles: | Cc1ccc(cc1)C1C=CC2=NN(Cc3nc(c4cccc(c4)C(F)(F)F)no3)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5379 |
| logD: | 5.5379 |
| logSw: | -5.5936 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 76.1 |
| InChI Key: | SXRJYNYBZIDAKB-UHFFFAOYSA-N |