2-chloro-6-fluoro-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Chemical Structure Depiction of
2-chloro-6-fluoro-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
2-chloro-6-fluoro-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | S554-0509 |
| Compound Name: | 2-chloro-6-fluoro-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide |
| Molecular Weight: | 395.82 |
| Molecular Formula: | C20 H15 Cl F N5 O |
| Smiles: | Cc1ccc(cc1)c1ccc2nnc(CNC(c3c(cccc3[Cl])F)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5113 |
| logD: | 3.51 |
| logSw: | -4.3513 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.787 |
| InChI Key: | YMCMXLRAJXSROI-UHFFFAOYSA-N |