N-[(3-chlorophenyl)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-[(3-chlorophenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide
N-[(3-chlorophenyl)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: | E854-1430 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide |
| Molecular Weight: | 449.94 |
| Molecular Formula: | C24 H24 Cl N5 O2 |
| Smiles: | CCC(C(NCc1cccc(c1)[Cl])=O)N1C(c2c(C(C)=N1)c(C)n(c1ccccc1)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1075 |
| logD: | 4.1075 |
| logSw: | -4.5898 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.145 |
| InChI Key: | QSHFENLGTKSQQA-FQEVSTJZSA-N |