methyl [(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
methyl [(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | E551-0102 |
| Compound Name: | methyl [(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C16 H17 N5 O4 S2 |
| Smiles: | COC(CSc1ccc2nnc(CCNS(c3ccccc3)(=O)=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0296 |
| logD: | 1.0291 |
| logSw: | -2.3362 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.185 |
| InChI Key: | YKCNURXOODEMAS-UHFFFAOYSA-N |