methyl [1-(3,4-dimethylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetate
Chemical Structure Depiction of
methyl [1-(3,4-dimethylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetate
methyl [1-(3,4-dimethylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetate
Compound characteristics
| Compound ID: | C801-0562 |
| Compound Name: | methyl [1-(3,4-dimethylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetate |
| Molecular Weight: | 312.33 |
| Molecular Formula: | C16 H16 N4 O3 |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(N(CC(=O)OC)C=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.382 |
| logD: | 2.382 |
| logSw: | -2.7052 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.14 |
| InChI Key: | DDPCUWMJMPVQJB-UHFFFAOYSA-N |