2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-benzylacetamide
Chemical Structure Depiction of
2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-benzylacetamide
2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-benzylacetamide
Compound characteristics
| Compound ID: | G856-6503 |
| Compound Name: | 2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-benzylacetamide |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C21 H17 N5 O3 S |
| Smiles: | C(c1ccccc1)NC(CSc1nnc2ccc(c3ccc4c(c3)OCO4)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0691 |
| logD: | 3.0691 |
| logSw: | -3.3857 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.294 |
| InChI Key: | HTKCEVQQJKFVRO-UHFFFAOYSA-N |