methyl 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
methyl 2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate
methyl 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: | E551-0226 |
| Compound Name: | methyl 2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C18 H21 N5 O4 S2 |
| Smiles: | CC(C(=O)OC)Sc1ccc2nnc(CCNS(c3ccc(C)cc3)(=O)=O)n2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4534 |
| logD: | 2.4529 |
| logSw: | -2.888 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.779 |
| InChI Key: | CAZFNQFZFXMJCI-ZDUSSCGKSA-N |