ethyl 2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate
ethyl 2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | C365-0196 |
| Compound Name: | ethyl 2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C18 H20 N4 O3 S |
| Smiles: | CCC(C(=O)OCC)SC1NC(c2cnn(c3ccc(C)cc3)c2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.929 |
| logD: | 3.9055 |
| logSw: | -3.8508 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.477 |
| InChI Key: | UDVVPGOVOIYGPQ-AWEZNQCLSA-N |