ethyl 2-(2-{[3-(pyridin-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[3-(pyridin-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[3-(pyridin-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | E546-0106 |
| Compound Name: | ethyl 2-(2-{[3-(pyridin-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 434.48 |
| Molecular Formula: | C21 H18 N6 O3 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1ccc2nnc(c3ccccn3)n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5236 |
| logD: | 2.5065 |
| logSw: | -2.8915 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.74 |
| InChI Key: | KWJUEKRLTDJZJZ-UHFFFAOYSA-N |