4-cyano-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-cyano-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
4-cyano-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | S554-0610 |
| Compound Name: | 4-cyano-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide |
| Molecular Weight: | 368.4 |
| Molecular Formula: | C21 H16 N6 O |
| Smiles: | Cc1ccc(cc1)c1ccc2nnc(CNC(c3ccc(C#N)cc3)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.709 |
| logD: | 2.7089 |
| logSw: | -2.9312 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.843 |
| InChI Key: | KKEOSLAIHTVLLB-UHFFFAOYSA-N |