2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2-ethyl-6-methylphenyl)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-(2-ethyl-6-methylphenyl)acetamide
2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2-ethyl-6-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C201-1328 |
| Compound Name: | 2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2-ethyl-6-methylphenyl)acetamide |
| Molecular Weight: | 467.98 |
| Molecular Formula: | C23 H22 Cl N5 O2 S |
| Smiles: | CCc1cccc(C)c1NC(CN1C(N2C(C=CC(=N2)SCc2ccc(cc2)[Cl])=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.709 |
| logD: | 4.709 |
| logSw: | -4.8175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.93 |
| InChI Key: | ZNIFYSMCSMACMP-UHFFFAOYSA-N |