N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-4-fluorobenzamide
N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | S554-0906 |
| Compound Name: | N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-4-fluorobenzamide |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C21 H18 F N5 O |
| Smiles: | Cc1ccc(cc1C)c1ccc2nnc(CNC(c3ccc(cc3)F)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5225 |
| logD: | 3.5224 |
| logSw: | -3.652 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.787 |
| InChI Key: | ZEGQMOIVDWGHMS-UHFFFAOYSA-N |