2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | K781-6523 |
| Compound Name: | 2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide |
| Molecular Weight: | 474.92 |
| Molecular Formula: | C21 H17 Cl F2 N6 O S |
| Smiles: | Cc1cc(ccc1[Cl])N1C(c2c(N=C1SCC(Nc1ccc(c(c1)F)F)=O)n[nH]c2C)=N |
| Stereo: | ACHIRAL |
| logP: | 4.8496 |
| logD: | -0.0841 |
| logSw: | -5.1063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.918 |
| InChI Key: | QCTYTTAZEVBUMQ-UHFFFAOYSA-N |