2-{[5-(3-chlorophenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(3-chlorophenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[5-(3-chlorophenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K784-2219 |
| Compound Name: | 2-{[5-(3-chlorophenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 479.87 |
| Molecular Formula: | C20 H13 Cl F3 N5 O2 S |
| Smiles: | C(C(Nc1ccccc1C(F)(F)F)=O)SC1=Nc2c(c[nH]n2)C(N1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9046 |
| logD: | 3.9046 |
| logSw: | -4.3782 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.878 |
| InChI Key: | GITBQTQJBOUOCQ-UHFFFAOYSA-N |