N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-0863 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 522.63 |
| Molecular Formula: | C26 H30 N6 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c(C)n[nH]c2N=C1SCC(NCCc1ccc(c(c1)OC)OC)=O)=N |
| Stereo: | ACHIRAL |
| logP: | 2.0857 |
| logD: | -2.1829 |
| logSw: | -2.9063 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.466 |
| InChI Key: | PWYOIBREOKLILT-UHFFFAOYSA-N |