3-bromo-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Chemical Structure Depiction of
3-bromo-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
3-bromo-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | S554-0816 |
| Compound Name: | 3-bromo-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide |
| Molecular Weight: | 438.28 |
| Molecular Formula: | C20 H16 Br N5 O2 |
| Smiles: | COc1ccc(cc1)c1ccc2nnc(CNC(c3cccc(c3)[Br])=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4624 |
| logD: | 3.4623 |
| logSw: | -3.7868 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.33 |
| InChI Key: | RIPHCHJKZQYQAY-UHFFFAOYSA-N |