N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(3-methoxyphenyl)[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-(3-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(3-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-6489 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(3-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | COc1cccc(c1)c1ccc2nnc(n2n1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3606 |
| logD: | 3.3606 |
| logSw: | -3.6813 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.516 |
| InChI Key: | FMWVSPRGIJDBOC-UHFFFAOYSA-N |