ethyl 2-{2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
ethyl 2-{2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F804-1030 |
| Compound Name: | ethyl 2-{2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 429.5 |
| Molecular Formula: | C20 H23 N5 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N2C(C=CC(=N2)SC(C)(C)C)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6265 |
| logD: | 3.6215 |
| logSw: | -3.7744 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.653 |
| InChI Key: | UCAARZFCIJSARF-UHFFFAOYSA-N |