N-(2-chloro-4-fluorophenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(2-chloro-4-fluorophenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0946 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 395.84 |
| Molecular Formula: | C16 H15 Cl F N5 O2 S |
| Smiles: | CC(C)SC1C=CC2=NN(CC(Nc3ccc(cc3[Cl])F)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5052 |
| logD: | 3.5022 |
| logSw: | -3.8206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.899 |
| InChI Key: | YRMIGDZVILYQQK-UHFFFAOYSA-N |