N-(4-acetamidophenyl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
N-(4-acetamidophenyl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E551-0177 |
| Compound Name: | N-(4-acetamidophenyl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C24 H25 N7 O4 S2 |
| Smiles: | CC(Nc1ccc(cc1)NC(CSc1ccc2nnc(CCNS(c3ccc(C)cc3)(=O)=O)n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2192 |
| logD: | 2.2187 |
| logSw: | -2.7722 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.745 |
| InChI Key: | MJLNAORQOYSGFC-UHFFFAOYSA-N |