2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | E551-0044 |
| Compound Name: | 2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 512.56 |
| Molecular Formula: | C22 H20 N6 O5 S2 |
| Smiles: | C(CNS(c1ccccc1)(=O)=O)c1nnc2ccc(nn12)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2427 |
| logD: | 2.2422 |
| logSw: | -2.9965 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.599 |
| InChI Key: | GVDJLEXSRXKWBQ-UHFFFAOYSA-N |