N-(2-oxo-2-{[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]amino}ethyl)benzamide
Chemical Structure Depiction of
N-(2-oxo-2-{[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]amino}ethyl)benzamide
N-(2-oxo-2-{[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | S554-0089 |
| Compound Name: | N-(2-oxo-2-{[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]amino}ethyl)benzamide |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C21 H18 N6 O2 |
| Smiles: | C(C(NCc1nnc2ccc(c3ccccc3)nn12)=O)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1829 |
| logD: | 2.1829 |
| logSw: | -2.5013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.258 |
| InChI Key: | NEUAHUDHCVCMHZ-UHFFFAOYSA-N |