N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-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-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K643-0379 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide |
| Molecular Weight: | 531.47 |
| Molecular Formula: | C23 H16 F3 N5 O5 S |
| Smiles: | CC(c1cc2c(cc1NC(CSC1=Nc3c(cn[nH]3)C(N1c1cccc(c1)C(F)(F)F)=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.888 |
| logD: | 2.8638 |
| logSw: | -3.3817 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.82 |
| InChI Key: | XIDWYNUYIMEEKS-UHFFFAOYSA-N |