N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-6443 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 439.88 |
| Molecular Formula: | C20 H14 Cl N5 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nnc2ccc(c3ccc(cc3)[Cl])nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0168 |
| logD: | 4.0168 |
| logSw: | -4.5475 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.972 |
| InChI Key: | XETJHMMQYBLSSE-UHFFFAOYSA-N |