N-(2-bromo-4-methylphenyl)-2-[6-(4-methylphenyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-2-[6-(4-methylphenyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(2-bromo-4-methylphenyl)-2-[6-(4-methylphenyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M452-0227 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-2-[6-(4-methylphenyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 452.31 |
| Molecular Formula: | C21 H18 Br N5 O2 |
| Smiles: | Cc1ccc(cc1)C1C=CC2=NN(CC(Nc3ccc(C)cc3[Br])=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.646 |
| logD: | 4.646 |
| logSw: | -4.285 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.208 |
| InChI Key: | INIANZLAAVHHST-UHFFFAOYSA-N |