2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,4-difluorophenyl)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-(3,4-difluorophenyl)acetamide
2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | F804-0037 |
| Compound Name: | 2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,4-difluorophenyl)acetamide |
| Molecular Weight: | 461.88 |
| Molecular Formula: | C20 H14 Cl F2 N5 O2 S |
| Smiles: | C(C(Nc1ccc(c(c1)F)F)=O)N1C(N2C(C=CC(=N2)SCc2ccc(cc2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.397 |
| logD: | 4.394 |
| logSw: | -4.6498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.326 |
| InChI Key: | ARJAYRZZGPVZNQ-UHFFFAOYSA-N |