1-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
Chemical Structure Depiction of
1-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
1-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
Compound characteristics
Compound ID: | E859-1273 |
Compound Name: | 1-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(1-phenylethyl)piperidine-3-carboxamide |
Molecular Weight: | 489.02 |
Molecular Formula: | C27 H29 Cl N6 O |
Smiles: | CC(c1ccccc1)NC(C1CCCN(C1)c1c2c(c(C)nn1)c(C)n(c1ccc(cc1)[Cl])n2)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.0863 |
logD: | 4.0678 |
logSw: | -4.6785 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.78 |
InChI Key: | XQRMOHGQUAPJCA-UHFFFAOYSA-N |