2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]acetamide
2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G856-6515 |
| Compound Name: | 2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 433.49 |
| Molecular Formula: | C22 H19 N5 O3 S |
| Smiles: | Cc1ccc(CNC(CSc2nnc3ccc(c4ccc5c(c4)OCO5)nn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4925 |
| logD: | 3.4925 |
| logSw: | -3.6863 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.294 |
| InChI Key: | MPWBMQWUQSNANH-UHFFFAOYSA-N |