N-(3-acetylphenyl)-2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
N-(3-acetylphenyl)-2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-6514 |
| Compound Name: | N-(3-acetylphenyl)-2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C22 H17 N5 O4 S |
| Smiles: | CC(c1cccc(c1)NC(CSc1nnc2ccc(c3ccc4c(c3)OCO4)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1287 |
| logD: | 3.1286 |
| logSw: | -3.2958 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.799 |
| InChI Key: | SKWPSDWSSROAPM-UHFFFAOYSA-N |