2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)acetamide
2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,3-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C201-1327 |
| Compound Name: | 2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,3-dimethylphenyl)acetamide |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C22 H20 Cl N5 O2 S |
| Smiles: | Cc1cccc(c1C)NC(CN1C(N2C(C=CC(=N2)SCc2ccc(cc2)[Cl])=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6708 |
| logD: | 4.6708 |
| logSw: | -4.8199 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.628 |
| InChI Key: | YEHGDAUOXXNELE-UHFFFAOYSA-N |