2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K898-0357 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide |
| Molecular Weight: | 513.41 |
| Molecular Formula: | C22 H21 Br N6 O2 S |
| Smiles: | CCOc1ccccc1NC(CSC1=Nc2c(C(=N)N1c1ccc(cc1)[Br])c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7521 |
| logD: | -0.5165 |
| logSw: | -4.1588 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.43 |
| InChI Key: | UMDHIPBRJVGBJE-UHFFFAOYSA-N |