2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | E551-0050 |
| Compound Name: | 2-[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 552.55 |
| Molecular Formula: | C22 H19 F3 N6 O4 S2 |
| Smiles: | C(CNS(c1ccccc1)(=O)=O)c1nnc2ccc(nn12)SCC(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6008 |
| logD: | 3.6004 |
| logSw: | -3.9345 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.42 |
| InChI Key: | IOTNRINEHMSYQD-UHFFFAOYSA-N |