N-(4-ethoxyphenyl)-2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-ethoxyphenyl)-2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-0172 |
| Compound Name: | N-(4-ethoxyphenyl)-2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 448.55 |
| Molecular Formula: | C23 H24 N6 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2c(C(=N)N1c1ccccc1C)c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5407 |
| logD: | -0.801 |
| logSw: | -3.9172 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.741 |
| InChI Key: | IIXQHEUTXVKHMX-UHFFFAOYSA-N |