N-(4-ethoxyphenyl)-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-ethoxyphenyl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
N-(4-ethoxyphenyl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K643-0355 |
| Compound Name: | N-(4-ethoxyphenyl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide |
| Molecular Weight: | 489.47 |
| Molecular Formula: | C22 H18 F3 N5 O3 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2c(cn[nH]2)C(N1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8311 |
| logD: | 3.8297 |
| logSw: | -3.8574 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.699 |
| InChI Key: | FINMJARCDLGQGB-UHFFFAOYSA-N |