2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(2,6-dimethylphenyl)butanamide
Chemical Structure Depiction of
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(2,6-dimethylphenyl)butanamide
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(2,6-dimethylphenyl)butanamide
Compound characteristics
| Compound ID: | E854-5171 |
| Compound Name: | 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(2,6-dimethylphenyl)butanamide |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C26 H29 N5 O2 |
| Smiles: | CCC(C(Nc1c(C)cccc1C)=O)N1C(c2c(C(C)=N1)c(C)n(c1ccc(C)cc1)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7298 |
| logD: | 4.7298 |
| logSw: | -4.5565 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.427 |
| InChI Key: | XONFMJRWFFOCJY-NRFANRHFSA-N |