2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G020-0159 |
| Compound Name: | 2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C25 H27 N5 O2 S |
| Smiles: | CCn1cc2c(C(N(CCc3ccccc3)C(=N2)SCC(NCc2ccc(C)cc2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3584 |
| logD: | 3.3584 |
| logSw: | -3.4439 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.36 |
| InChI Key: | RUBMCBGCTBKORV-UHFFFAOYSA-N |