2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | E551-0034 |
| Compound Name: | 2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide |
| Molecular Weight: | 517.03 |
| Molecular Formula: | C22 H21 Cl N6 O3 S2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1ccc2nnc(CCNS(c3ccccc3)(=O)=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7998 |
| logD: | 3.7993 |
| logSw: | -4.1477 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.483 |
| InChI Key: | IWJXCAZKXDMFTH-UHFFFAOYSA-N |