1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide
Chemical Structure Depiction of
1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide
1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide
Compound characteristics
Compound ID: | L094-3804 |
Compound Name: | 1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide |
Molecular Weight: | 472.61 |
Molecular Formula: | C26 H28 N6 O S |
Smiles: | Cc1ccc(cc1)n1cc2c(ncnc2n1)N1CCCC(C1)C(NCc1ccc(cc1)SC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.4475 |
logD: | 4.4401 |
logSw: | -4.0766 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.955 |
InChI Key: | VWUOWUZLQDJSCV-FQEVSTJZSA-N |