N-(butan-2-yl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(butan-2-yl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | E960-0872 |
| Compound Name: | N-(butan-2-yl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 427.57 |
| Molecular Formula: | C22 H29 N5 O2 S |
| Smiles: | CCC(C)NC(CSC1=Nc2c(C)nn(CC)c2C(N1CCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5 |
| logD: | 2.5 |
| logSw: | -2.5931 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.601 |
| InChI Key: | GEHVMLIYKYOPJZ-HNNXBMFYSA-N |