N-[2-(6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
Chemical Structure Depiction of
N-[2-(6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
N-[2-(6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
Compound characteristics
| Compound ID: | E551-0004 |
| Compound Name: | N-[2-(6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C19 H22 N6 O3 S2 |
| Smiles: | C1CCN(C1)C(CSc1ccc2nnc(CCNS(c3ccccc3)(=O)=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4535 |
| logD: | 1.453 |
| logSw: | -2.401 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.092 |
| InChI Key: | NCXAVXHUBKOXBI-UHFFFAOYSA-N |