methyl [(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate
methyl [(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C365-0086 |
| Compound Name: | methyl [(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate |
| Molecular Weight: | 316.34 |
| Molecular Formula: | C14 H12 N4 O3 S |
| Smiles: | COC(CSC1NC(c2cnn(c3ccccc3)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6082 |
| logD: | 1.5453 |
| logSw: | -2.4802 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.302 |
| InChI Key: | FNPDWGFZUWKHOM-UHFFFAOYSA-N |