N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide
Compound characteristics
| Compound ID: | E854-1492 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C25 H25 N5 O4 |
| Smiles: | CCC(C(NCc1ccc2c(c1)OCO2)=O)N1C(c2c(C(C)=N1)c(C)n(c1ccccc1)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3232 |
| logD: | 3.3232 |
| logSw: | -3.6313 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.26 |
| InChI Key: | FDSBOOIUPSZHGR-IBGZPJMESA-N |