2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | G020-0172 |
| Compound Name: | 2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C23 H22 F N5 O2 S |
| Smiles: | CCn1cc2c(C(N(CCc3ccccc3)C(=N2)SCC(Nc2ccccc2F)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0338 |
| logD: | 3.0337 |
| logSw: | -3.3061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.34 |
| InChI Key: | IOGKQKAKIMIYOB-UHFFFAOYSA-N |