N-[(3-chlorophenyl)methyl]-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-[(3-chlorophenyl)methyl]-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
N-[(3-chlorophenyl)methyl]-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K643-0368 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide |
| Molecular Weight: | 493.89 |
| Molecular Formula: | C21 H15 Cl F3 N5 O2 S |
| Smiles: | C(c1cccc(c1)[Cl])NC(CSC1=Nc2c(cn[nH]2)C(N1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8408 |
| logD: | 3.8344 |
| logSw: | -4.374 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.898 |
| InChI Key: | SKJUPEWAOQZMDZ-UHFFFAOYSA-N |