6-{[(2-methylphenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(2-methylphenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(2-methylphenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K643-0405 |
| Compound Name: | 6-{[(2-methylphenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 416.42 |
| Molecular Formula: | C20 H15 F3 N4 O S |
| Smiles: | Cc1ccccc1CSC1=Nc2c(cn[nH]2)C(N1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8644 |
| logD: | 4.8504 |
| logSw: | -4.4983 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.426 |
| InChI Key: | FAOSWAFKSJKWOR-UHFFFAOYSA-N |