methyl [(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
methyl [(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | E551-0221 |
| Compound Name: | methyl [(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C17 H19 N5 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.638 |
| logD: | 1.6376 |
| logSw: | -2.6592 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.185 |
| InChI Key: | QNGPJSWPLNQIEK-UHFFFAOYSA-N |