N-[2-(6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
Chemical Structure Depiction of
N-[2-(6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
N-[2-(6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
Compound characteristics
| Compound ID: | E551-0119 |
| Compound Name: | N-[2-(6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C22 H21 N5 O4 S2 |
| Smiles: | COc1ccc(cc1)C(CSc1ccc2nnc(CCNS(c3ccccc3)(=O)=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5192 |
| logD: | 2.5187 |
| logSw: | -2.8464 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.125 |
| InChI Key: | CHPMWMXLKIPUIZ-UHFFFAOYSA-N |