N-(3-chlorophenyl)-2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G020-0167 |
| Compound Name: | N-(3-chlorophenyl)-2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 467.98 |
| Molecular Formula: | C23 H22 Cl N5 O2 S |
| Smiles: | CCn1cc2c(C(N(CCc3ccccc3)C(=N2)SCC(Nc2cccc(c2)[Cl])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0073 |
| logD: | 4.0072 |
| logSw: | -4.2082 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.038 |
| InChI Key: | JEKMCIQWQNULDB-UHFFFAOYSA-N |