N-(4-methylphenyl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-methylphenyl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(4-methylphenyl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | C201-1259 |
| Compound Name: | N-(4-methylphenyl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C18 H21 N5 O4 S |
| Smiles: | Cc1ccc(cc1)NC(CN1C(N2C(C=CC(=N2)S(C(C)(C)C)(=O)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4824 |
| logD: | 2.4824 |
| logSw: | -2.9488 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.733 |
| InChI Key: | ZPJPSBQEFVFWNG-UHFFFAOYSA-N |