N-(4-acetylphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(4-acetylphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F804-0128 |
| Compound Name: | N-(4-acetylphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C21 H17 N5 O3 S |
| Smiles: | CC(c1ccc(cc1)NC(CN1C(N2C(C=CC(=N2)Sc2ccccc2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2239 |
| logD: | 3.2238 |
| logSw: | -3.4538 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.152 |
| InChI Key: | QQQLANSMVIZSBY-UHFFFAOYSA-N |