N-(2-{6-[(2-oxo-2-phenylethyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide
Chemical Structure Depiction of
N-(2-{6-[(2-oxo-2-phenylethyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide
N-(2-{6-[(2-oxo-2-phenylethyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide
Compound characteristics
| Compound ID: | E551-0114 |
| Compound Name: | N-(2-{6-[(2-oxo-2-phenylethyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C21 H19 N5 O3 S2 |
| Smiles: | C(CNS(c1ccccc1)(=O)=O)c1nnc2ccc(nn12)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4317 |
| logD: | 2.4313 |
| logSw: | -2.8147 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.581 |
| InChI Key: | JIIGVTSNAZVMSD-UHFFFAOYSA-N |