2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-phenylacetamide
Chemical Structure Depiction of
2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-phenylacetamide
2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-phenylacetamide
Compound characteristics
| Compound ID: | E551-0252 |
| Compound Name: | 2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-phenylacetamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C22 H22 N6 O4 S2 |
| Smiles: | COc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(Nc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3853 |
| logD: | 2.3851 |
| logSw: | -2.8309 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.027 |
| InChI Key: | MLKUCQXEBUFMFK-UHFFFAOYSA-N |