5-chloro-N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-methoxybenzamide
Chemical Structure Depiction of
5-chloro-N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-methoxybenzamide
5-chloro-N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-methoxybenzamide
Compound characteristics
| Compound ID: | S554-0378 |
| Compound Name: | 5-chloro-N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-methoxybenzamide |
| Molecular Weight: | 411.82 |
| Molecular Formula: | C20 H15 Cl F N5 O2 |
| Smiles: | COc1ccc(cc1C(NCc1nnc2ccc(c3ccc(cc3)F)nn12)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6216 |
| logD: | 3.619 |
| logSw: | -4.1236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.417 |
| InChI Key: | NQTDBYUPITUXBT-UHFFFAOYSA-N |