6-(4-methylphenyl)-2-({3-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
6-(4-methylphenyl)-2-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | M453-0656 |
| Compound Name: | 6-(4-methylphenyl)-2-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 468.39 |
| Molecular Formula: | C22 H15 F3 N6 O3 |
| Smiles: | Cc1ccc(cc1)C1C=CC2=NN(Cc3nc(c4ccc(cc4)OC(F)(F)F)no3)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9275 |
| logD: | 5.9275 |
| logSw: | -5.5779 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 82.036 |
| InChI Key: | ZSBPCSJGGNQPMX-UHFFFAOYSA-N |