2-{[5-(3-chloro-2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[5-(3-chloro-2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K829-0468 |
| Compound Name: | 2-{[5-(3-chloro-2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 493.89 |
| Molecular Formula: | C21 H15 Cl F3 N5 O2 S |
| Smiles: | Cc1c(cccc1[Cl])N1C(=Nc2c(cn[nH]2)C1=O)SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2301 |
| logD: | 4.2289 |
| logSw: | -4.4581 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.577 |
| InChI Key: | FRLVQIANPSSNFS-UHFFFAOYSA-N |