N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C365-0228 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C24 H25 N5 O4 S |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)C(NC(=N2)SCC(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5063 |
| logD: | 2.4433 |
| logSw: | -2.9443 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.025 |
| InChI Key: | HPPABFQYXHIRGK-UHFFFAOYSA-N |