N-(4-bromo-3-methylphenyl)-2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(4-bromo-3-methylphenyl)-2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F804-1063 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 450.36 |
| Molecular Formula: | C18 H20 Br N5 O2 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CN1C(N2C(C=CC(=N2)SC(C)(C)C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5329 |
| logD: | 4.5329 |
| logSw: | -4.2448 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.597 |
| InChI Key: | FZWRFZLLMFYVQA-UHFFFAOYSA-N |