N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C099-0353 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 497.86 |
| Molecular Formula: | C20 H12 Cl F4 N5 O2 S |
| Smiles: | C(C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)SC1NC(c2cnn(c3ccc(cc3)F)c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3638 |
| logD: | 4.3008 |
| logSw: | -4.5831 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.903 |
| InChI Key: | UYLKGZOLRKSPEX-UHFFFAOYSA-N |