N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline-2-carboxamide
Chemical Structure Depiction of
N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline-2-carboxamide
N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline-2-carboxamide
Compound characteristics
| Compound ID: | S554-0547 |
| Compound Name: | N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline-2-carboxamide |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C23 H18 N6 O |
| Smiles: | Cc1ccc(cc1)c1ccc2nnc(CNC(c3ccc4ccccc4n3)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6723 |
| logD: | 3.6722 |
| logSw: | -3.9987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.117 |
| InChI Key: | NIYAVPVBOHRMBO-UHFFFAOYSA-N |