N-(4-chloro-2-fluorophenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(4-chloro-2-fluorophenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-1227 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 447.85 |
| Molecular Formula: | C19 H12 Cl F2 N5 O2 S |
| Smiles: | C(C(Nc1ccc(cc1F)[Cl])=O)N1C(N2C(C=CC(=N2)Sc2cccc(c2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4075 |
| logD: | 4.4045 |
| logSw: | -4.5645 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.628 |
| InChI Key: | PUSNNHCZOZXDTP-UHFFFAOYSA-N |