4-methoxy-N-[2-(6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-methoxy-N-[2-(6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
4-methoxy-N-[2-(6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E551-0357 |
| Compound Name: | 4-methoxy-N-[2-(6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide |
| Molecular Weight: | 513.59 |
| Molecular Formula: | C23 H23 N5 O5 S2 |
| Smiles: | COc1ccc(cc1)C(CSc1ccc2nnc(CCNS(c3ccc(cc3)OC)(=O)=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6866 |
| logD: | 2.6864 |
| logSw: | -3.1597 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.669 |
| InChI Key: | UTIPPKBCKRNZBT-UHFFFAOYSA-N |