N-[(4-methylphenyl)methyl]-2-{[6-(pyridin-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-{[6-(pyridin-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
N-[(4-methylphenyl)methyl]-2-{[6-(pyridin-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-6645 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-{[6-(pyridin-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 390.47 |
| Molecular Formula: | C20 H18 N6 O S |
| Smiles: | Cc1ccc(CNC(CSc2nnc3ccc(c4ccncc4)nn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4447 |
| logD: | 2.4437 |
| logSw: | -2.3708 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.607 |
| InChI Key: | XFQLAPAIGHSTQW-UHFFFAOYSA-N |