ethyl 4-{2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | E551-0054 |
| Compound Name: | ethyl 4-{2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 540.62 |
| Molecular Formula: | C24 H24 N6 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1ccc2nnc(CCNS(c3ccccc3)(=O)=O)n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.011 |
| logD: | 3.0105 |
| logSw: | -3.5284 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.237 |
| InChI Key: | QXSKVUJPTSOXFQ-UHFFFAOYSA-N |