3-chloro-4-fluoro-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Chemical Structure Depiction of
3-chloro-4-fluoro-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
3-chloro-4-fluoro-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | S554-0691 |
| Compound Name: | 3-chloro-4-fluoro-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide |
| Molecular Weight: | 411.82 |
| Molecular Formula: | C20 H15 Cl F N5 O2 |
| Smiles: | COc1ccc(cc1)c1ccc2nnc(CNC(c3ccc(c(c3)[Cl])F)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1535 |
| logD: | 3.1523 |
| logSw: | -3.675 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.33 |
| InChI Key: | XCICIGICNOSGNI-UHFFFAOYSA-N |