N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[6-(3,4-dimethylphenyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[6-(3,4-dimethylphenyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[6-(3,4-dimethylphenyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M452-0581 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[6-(3,4-dimethylphenyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 475.86 |
| Molecular Formula: | C22 H17 Cl F3 N5 O2 |
| Smiles: | Cc1ccc(cc1C)C1C=CC2=NN(CC(Nc3ccc(c(c3)C(F)(F)F)[Cl])=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9908 |
| logD: | 5.981 |
| logSw: | -6.0807 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.906 |
| InChI Key: | OXQZKMLHPLIZBA-UHFFFAOYSA-N |