N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2,4-dimethoxybenzamide
N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | S554-0426 |
| Compound Name: | N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2,4-dimethoxybenzamide |
| Molecular Weight: | 407.4 |
| Molecular Formula: | C21 H18 F N5 O3 |
| Smiles: | COc1ccc(C(NCc2nnc3ccc(c4ccc(cc4)F)nn23)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9826 |
| logD: | 2.9824 |
| logSw: | -3.4483 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.961 |
| InChI Key: | KBQKHJZBJILKJZ-UHFFFAOYSA-N |