2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | E551-0022 |
| Compound Name: | 2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C23 H24 N6 O3 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(CSc1ccc2nnc(CCNS(c3ccccc3)(=O)=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1025 |
| logD: | 3.1021 |
| logSw: | -3.4846 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.483 |
| InChI Key: | SNNSZJBFCQBYPT-UHFFFAOYSA-N |