4-methyl-N-[2-(6-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-N-[2-(6-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
4-methyl-N-[2-(6-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E551-0209 |
| Compound Name: | 4-methyl-N-[2-(6-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C22 H23 N5 O2 S2 |
| Smiles: | Cc1ccc(CSc2ccc3nnc(CCNS(c4ccc(C)cc4)(=O)=O)n3n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7659 |
| logD: | 3.7655 |
| logSw: | -3.849 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.334 |
| InChI Key: | GJGUAWIINQMMOO-UHFFFAOYSA-N |