2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K781-1119 |
| Compound Name: | 2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 445.42 |
| Molecular Formula: | C20 H14 F3 N5 O2 S |
| Smiles: | C(C(Nc1cccc(c1)C(F)(F)F)=O)SC1=Nc2c(cn[nH]2)C(N1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5273 |
| logD: | 3.526 |
| logSw: | -3.7433 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.576 |
| InChI Key: | LMPNELRMMCMDBF-UHFFFAOYSA-N |