ethyl 4-[6-methyl-1-(2-methylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[6-methyl-1-(2-methylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate
ethyl 4-[6-methyl-1-(2-methylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate
Compound characteristics
Compound ID: | C374-0416 |
Compound Name: | ethyl 4-[6-methyl-1-(2-methylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate |
Molecular Weight: | 388.42 |
Molecular Formula: | C22 H20 N4 O3 |
Smiles: | CCOC(c1ccc(cc1)N1C(C)=Nc2c(cnn2c2ccccc2C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.1507 |
logD: | 4.143 |
logSw: | -4.0156 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 58.177 |
InChI Key: | PLPVVXSOQRVYJQ-UHFFFAOYSA-N |