N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3,4-dimethoxybenzamide
N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | S554-0263 |
| Compound Name: | N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 423.86 |
| Molecular Formula: | C21 H18 Cl N5 O3 |
| Smiles: | COc1ccc(cc1OC)C(NCc1nnc2ccc(c3ccc(cc3)[Cl])nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8501 |
| logD: | 2.8501 |
| logSw: | -3.6445 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.047 |
| InChI Key: | XLHXETPXPSHBJZ-UHFFFAOYSA-N |