methyl 2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate
Chemical Structure Depiction of
methyl 2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate
methyl 2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | E551-0344 |
| Compound Name: | methyl 2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C19 H23 N5 O5 S2 |
| Smiles: | CCC(C(=O)OC)Sc1ccc2nnc(CCNS(c3ccc(cc3)OC)(=O)=O)n2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5294 |
| logD: | 2.5293 |
| logSw: | -2.9213 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.323 |
| InChI Key: | GMOMYJOHFKSMFP-HNNXBMFYSA-N |