4-cyano-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]benzamide
Chemical Structure Depiction of
4-cyano-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]benzamide
4-cyano-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | S554-0118 |
| Compound Name: | 4-cyano-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]benzamide |
| Molecular Weight: | 354.37 |
| Molecular Formula: | C20 H14 N6 O |
| Smiles: | C(c1nnc2ccc(c3ccccc3)nn12)NC(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1805 |
| logD: | 2.1805 |
| logSw: | -2.5611 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.843 |
| InChI Key: | JAERGKOSPROMCR-UHFFFAOYSA-N |