N-[2-(6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
Chemical Structure Depiction of
N-[2-(6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
N-[2-(6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
Compound characteristics
| Compound ID: | E551-0115 |
| Compound Name: | N-[2-(6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide |
| Molecular Weight: | 487.99 |
| Molecular Formula: | C21 H18 Cl N5 O3 S2 |
| Smiles: | C(CNS(c1ccccc1)(=O)=O)c1nnc2ccc(nn12)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1315 |
| logD: | 3.1311 |
| logSw: | -3.8143 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.581 |
| InChI Key: | OSOWWMOYLAQZJE-UHFFFAOYSA-N |