methyl 2-[1-(4-chlorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]butanoate
Chemical Structure Depiction of
methyl 2-[1-(4-chlorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]butanoate
methyl 2-[1-(4-chlorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]butanoate
Compound characteristics
| Compound ID: | C801-0336 |
| Compound Name: | methyl 2-[1-(4-chlorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]butanoate |
| Molecular Weight: | 346.77 |
| Molecular Formula: | C16 H15 Cl N4 O3 |
| Smiles: | CCC(C(=O)OC)N1C=Nc2c(cnn2c2ccc(cc2)[Cl])C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8497 |
| logD: | 2.8497 |
| logSw: | -3.3993 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.826 |
| InChI Key: | PJHVHVUKTMAENG-ZDUSSCGKSA-N |