2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide
2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K643-0361 |
| Compound Name: | 2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 535.5 |
| Molecular Formula: | C23 H20 F3 N5 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CSC1=Nc2c(cn[nH]2)C(N1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8427 |
| logD: | 2.8413 |
| logSw: | -3.5006 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.554 |
| InChI Key: | RRVFMLPXNMDXOR-UHFFFAOYSA-N |