4-methoxy-N-[2-(6-{[(2-methylphenyl)methyl]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-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
4-methoxy-N-[2-(6-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E551-0321 |
| Compound Name: | 4-methoxy-N-[2-(6-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C22 H23 N5 O3 S2 |
| Smiles: | Cc1ccccc1CSc1ccc2nnc(CCNS(c3ccc(cc3)OC)(=O)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9792 |
| logD: | 3.979 |
| logSw: | -4.0303 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.878 |
| InChI Key: | DLRSVJSHRLNJJX-UHFFFAOYSA-N |