N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-(trifluoromethoxy)benzamide
Chemical Structure Depiction of
N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-(trifluoromethoxy)benzamide
N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-(trifluoromethoxy)benzamide
Compound characteristics
| Compound ID: | S554-0813 |
| Compound Name: | N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-(trifluoromethoxy)benzamide |
| Molecular Weight: | 443.38 |
| Molecular Formula: | C21 H16 F3 N5 O3 |
| Smiles: | COc1ccc(cc1)c1ccc2nnc(CNC(c3cccc(c3)OC(F)(F)F)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7994 |
| logD: | 3.7994 |
| logSw: | -4.1689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.267 |
| InChI Key: | JMERFWVBDUEGMC-UHFFFAOYSA-N |