N-(4-acetylphenyl)-2-[6-(benzenesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-[6-(benzenesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(4-acetylphenyl)-2-[6-(benzenesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F803-0128 |
| Compound Name: | N-(4-acetylphenyl)-2-[6-(benzenesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C21 H17 N5 O5 S |
| Smiles: | CC(c1ccc(cc1)NC(CN1C(N2C(C=CC(=N2)S(c2ccccc2)(=O)=O)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9632 |
| logD: | 1.9631 |
| logSw: | -2.6837 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.288 |
| InChI Key: | SIWSJJQHNVKYKI-UHFFFAOYSA-N |