2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | E551-0042 |
| Compound Name: | 2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 528.61 |
| Molecular Formula: | C23 H24 N6 O5 S2 |
| Smiles: | COc1ccc(c(c1)NC(CSc1ccc2nnc(CCNS(c3ccccc3)(=O)=O)n2n1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.093 |
| logD: | 2.0924 |
| logSw: | -3.0406 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.96 |
| InChI Key: | XMBVOKXATKDQNN-UHFFFAOYSA-N |