6-phenyl-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-phenyl-2-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
6-phenyl-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: | M453-0598 |
| Compound Name: | 6-phenyl-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: | 454.37 |
| Molecular Formula: | C21 H13 F3 N6 O3 |
| Smiles: | C(c1nc(c2ccc(cc2)OC(F)(F)F)no1)N1C(N2C(C=CC(c3ccccc3)=N2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.399 |
| logD: | 5.399 |
| logSw: | -5.8168 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 82.036 |
| InChI Key: | LCHABMPNWHTMEX-UHFFFAOYSA-N |