2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3-fluorophenyl)acetamide
2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | F804-0013 |
| Compound Name: | 2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 443.89 |
| Molecular Formula: | C20 H15 Cl F N5 O2 S |
| Smiles: | C(C(Nc1cccc(c1)F)=O)N1C(N2C(C=CC(=N2)SCc2ccc(cc2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1937 |
| logD: | 4.1937 |
| logSw: | -4.5572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.326 |
| InChI Key: | HPUHFHVCLVHFOC-UHFFFAOYSA-N |