N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2,5-difluorobenzamide
Chemical Structure Depiction of
N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2,5-difluorobenzamide
N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2,5-difluorobenzamide
Compound characteristics
| Compound ID: | S554-0205 |
| Compound Name: | N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2,5-difluorobenzamide |
| Molecular Weight: | 399.79 |
| Molecular Formula: | C19 H12 Cl F2 N5 O |
| Smiles: | C(c1nnc2ccc(c3ccc(cc3)[Cl])nn12)NC(c1cc(ccc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.857 |
| logD: | 3.8558 |
| logSw: | -4.4765 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.787 |
| InChI Key: | QWEYOSCLQXXMRP-UHFFFAOYSA-N |