ethyl 4-{2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | E551-0173 |
| Compound Name: | ethyl 4-{2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 554.65 |
| Molecular Formula: | C25 H26 N6 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1ccc2nnc(CCNS(c3ccc(C)cc3)(=O)=O)n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6194 |
| logD: | 3.6189 |
| logSw: | -3.7656 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.237 |
| InChI Key: | BDMYGTFMPQITFU-UHFFFAOYSA-N |