1-(3,4-dimethylphenyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(3,4-dimethylphenyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C801-0551 |
| Compound Name: | 1-(3,4-dimethylphenyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 398.39 |
| Molecular Formula: | C21 H17 F3 N4 O |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(N(Cc1cccc(c1)C(F)(F)F)C=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8702 |
| logD: | 4.8702 |
| logSw: | -4.5731 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.289 |
| InChI Key: | NOTIWXXUGPLYEQ-UHFFFAOYSA-N |