ethyl 1-[1-(3-chloro-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[1-(3-chloro-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
ethyl 1-[1-(3-chloro-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
Compound characteristics
Compound ID: | K405-3239 |
Compound Name: | ethyl 1-[1-(3-chloro-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxylate |
Molecular Weight: | 399.88 |
Molecular Formula: | C20 H22 Cl N5 O2 |
Smiles: | CCOC(C1CCCN(C1)c1c2cnn(c3ccc(C)c(c3)[Cl])c2ncn1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7119 |
logD: | 4.7105 |
logSw: | -4.8648 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 58.548 |
InChI Key: | DMTDYLDCOWBUPW-AWEZNQCLSA-N |