2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K781-6521 |
| 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-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 506.94 |
| Molecular Formula: | C22 H18 Cl F3 N6 O S |
| Smiles: | Cc1cc(ccc1[Cl])N1C(c2c(N=C1SCC(Nc1cccc(c1)C(F)(F)F)=O)n[nH]c2C)=N |
| Stereo: | ACHIRAL |
| logP: | 5.5362 |
| logD: | 0.6025 |
| logSw: | -6.2208 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.918 |
| InChI Key: | DDLOGWAFHWWLFN-UHFFFAOYSA-N |