N-[2-(6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
N-[2-(6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E551-0234 |
| Compound Name: | N-[2-(6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 502.01 |
| Molecular Formula: | C22 H20 Cl N5 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(c1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7399 |
| logD: | 3.7395 |
| logSw: | -4.4084 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.581 |
| InChI Key: | SELOSGOHZAUNST-UHFFFAOYSA-N |