2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G856-6499 |
| Compound Name: | 2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | COc1cccc(c1)NC(CSc1nnc2ccc(c3ccc4c(c3)OCO4)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4542 |
| logD: | 3.4542 |
| logSw: | -3.8172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.516 |
| InChI Key: | JASJSTMYVUZJPQ-UHFFFAOYSA-N |