N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}isoquinoline-1-carboxamide
Chemical Structure Depiction of
N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}isoquinoline-1-carboxamide
N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | S554-0548 |
| Compound Name: | N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}isoquinoline-1-carboxamide |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C23 H18 N6 O |
| Smiles: | Cc1ccc(cc1)c1ccc2nnc(CNC(c3c4ccccc4ccn3)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2125 |
| logD: | 3.2125 |
| logSw: | -3.1948 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.333 |
| InChI Key: | GUFBXIUKYHPSMR-UHFFFAOYSA-N |