N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-(trifluoromethoxy)benzamide
Chemical Structure Depiction of
N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-(trifluoromethoxy)benzamide
N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-(trifluoromethoxy)benzamide
Compound characteristics
| Compound ID: | S554-0485 |
| Compound Name: | N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-(trifluoromethoxy)benzamide |
| Molecular Weight: | 431.35 |
| Molecular Formula: | C20 H13 F4 N5 O2 |
| Smiles: | C(c1nnc2ccc(c3ccc(cc3)F)nn12)NC(c1cccc(c1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8461 |
| logD: | 3.8461 |
| logSw: | -4.1918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.723 |
| InChI Key: | XNGWSQJDWXUJPO-UHFFFAOYSA-N |