ethyl 2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate
Chemical Structure Depiction of
ethyl 2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate
ethyl 2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | E551-0223 |
| Compound Name: | ethyl 2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C19 H23 N5 O4 S2 |
| Smiles: | CCOC(C(C)Sc1ccc2nnc(CCNS(c3ccc(C)cc3)(=O)=O)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8944 |
| logD: | 2.894 |
| logSw: | -3.4837 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.359 |
| InChI Key: | FSAFOEOMQNTZAU-AWEZNQCLSA-N |