N-[2-(6-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
Chemical Structure Depiction of
N-[2-(6-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
N-[2-(6-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
Compound characteristics
| Compound ID: | E551-0089 |
| Compound Name: | N-[2-(6-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C22 H23 N5 O2 S2 |
| Smiles: | Cc1ccc(C)c(CSc2ccc3nnc(CCNS(c4ccccc4)(=O)=O)n3n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2392 |
| logD: | 4.2387 |
| logSw: | -4.1506 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.334 |
| InChI Key: | NXFHYLGHJJQHOK-UHFFFAOYSA-N |