N-(2H-1,3-benzodioxol-5-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-(2H-1,3-benzodioxol-5-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-(2H-1,3-benzodioxol-5-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: | E960-0866 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-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: | 491.57 |
| Molecular Formula: | C25 H25 N5 O4 S |
| Smiles: | CCn1c2C(N(CCc3ccccc3)C(=Nc2c(C)n1)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1859 |
| logD: | 3.1859 |
| logSw: | -3.3571 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.681 |
| InChI Key: | COXKMTVCDZWPBK-UHFFFAOYSA-N |