ethyl [(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
ethyl [(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | E551-0222 |
| Compound Name: | ethyl [(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C18 H21 N5 O4 S2 |
| Smiles: | CCOC(CSc1ccc2nnc(CCNS(c3ccc(C)cc3)(=O)=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2291 |
| logD: | 2.2287 |
| logSw: | -2.8102 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.764 |
| InChI Key: | DEZFTTMFSPADNB-UHFFFAOYSA-N |