N-(3-acetylphenyl)-2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(3-acetylphenyl)-2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F804-1036 |
| Compound Name: | N-(3-acetylphenyl)-2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C19 H21 N5 O3 S |
| Smiles: | CC(c1cccc(c1)NC(CN1C(N2C(C=CC(=N2)SC(C)(C)C)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0992 |
| logD: | 3.0992 |
| logSw: | -3.2254 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.424 |
| InChI Key: | WNJFFSYZMKAJSN-UHFFFAOYSA-N |