N-(2,4-dimethoxyphenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(2,4-dimethoxyphenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-1151 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 455.47 |
| Molecular Formula: | C21 H18 F N5 O4 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CN1C(N2C(C=CC(=N2)Sc2cccc(c2)F)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5309 |
| logD: | 3.5308 |
| logSw: | -3.8515 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.802 |
| InChI Key: | SCNIEJYQCJUFOX-UHFFFAOYSA-N |