ethyl 2-methyl-2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-methyl-2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanoate
ethyl 2-methyl-2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C365-0197 |
| Compound Name: | ethyl 2-methyl-2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanoate |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C18 H20 N4 O3 S |
| Smiles: | CCOC(C(C)(C)SC1NC(c2cnn(c3ccc(C)cc3)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9913 |
| logD: | 3.9827 |
| logSw: | -3.9873 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.477 |
| InChI Key: | RYBVGCGYRVPIHM-UHFFFAOYSA-N |