N-(3-chloro-4-methylphenyl)-1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide
N-(3-chloro-4-methylphenyl)-1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E859-0059 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide |
| Molecular Weight: | 474.99 |
| Molecular Formula: | C26 H27 Cl N6 O |
| Smiles: | Cc1ccc(cc1[Cl])NC(C1CCN(CC1)c1c2c(c(C)nn1)c(C)n(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8698 |
| logD: | 4.8569 |
| logSw: | -4.9755 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.361 |
| InChI Key: | DGKPYNKKWIDSHU-UHFFFAOYSA-N |