N-(4-chlorophenyl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
N-(4-chlorophenyl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K643-0356 |
| Compound Name: | N-(4-chlorophenyl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide |
| Molecular Weight: | 479.87 |
| Molecular Formula: | C20 H13 Cl F3 N5 O2 S |
| Smiles: | C(C(Nc1ccc(cc1)[Cl])=O)SC1=Nc2c(cn[nH]2)C(N1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0569 |
| logD: | 4.0555 |
| logSw: | -4.5337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.576 |
| InChI Key: | YZCQFMHJJXEQNC-UHFFFAOYSA-N |