ethyl [(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate
ethyl [(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C365-0025 |
| Compound Name: | ethyl [(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate |
| Molecular Weight: | 330.36 |
| Molecular Formula: | C15 H14 N4 O3 S |
| Smiles: | CCOC(CSC1NC(c2cnn(c3ccccc3)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1993 |
| logD: | 2.1364 |
| logSw: | -2.9317 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.882 |
| InChI Key: | LBCCQHMPXXRASS-UHFFFAOYSA-N |