N-[(4-chlorophenyl)methyl]-1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide
N-[(4-chlorophenyl)methyl]-1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E859-0029 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-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: | Cc1c2c(c(nn1)N1CCC(CC1)C(NCc1ccc(cc1)[Cl])=O)nn(c1ccccc1)c2C |
| Stereo: | ACHIRAL |
| logP: | 3.7632 |
| logD: | 3.7511 |
| logSw: | -4.3489 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.684 |
| InChI Key: | SHNHZMUPFNEUIG-UHFFFAOYSA-N |