2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(3-ethylphenyl)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-(3-ethylphenyl)acetamide
2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | E960-0851 |
| 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-(3-ethylphenyl)acetamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C26 H29 N5 O2 S |
| Smiles: | CCc1cccc(c1)NC(CSC1=Nc2c(C)nn(CC)c2C(N1CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1433 |
| logD: | 4.1433 |
| logSw: | -4.1959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.566 |
| InChI Key: | XQWPCZXBDQNPND-UHFFFAOYSA-N |