2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | E960-0848 |
| Compound Name: | 2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C24 H24 F N5 O2 S |
| Smiles: | CCn1c2C(N(CCc3ccccc3)C(=Nc2c(C)n1)SCC(Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1329 |
| logD: | 3.1329 |
| logSw: | -3.3065 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.868 |
| InChI Key: | KIFRWTOSECIFSU-UHFFFAOYSA-N |