N-(2-{6-[(cyanomethyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide
Chemical Structure Depiction of
N-(2-{6-[(cyanomethyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide
N-(2-{6-[(cyanomethyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide
Compound characteristics
| Compound ID: | E551-0109 |
| Compound Name: | N-(2-{6-[(cyanomethyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C15 H14 N6 O2 S2 |
| Smiles: | C(CNS(c1ccccc1)(=O)=O)c1nnc2ccc(nn12)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 0.9981 |
| logD: | 0.9976 |
| logSw: | -2.2723 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.097 |
| InChI Key: | VLJFQKQYMBIIDI-UHFFFAOYSA-N |