1-(3,4-dimethylphenyl)-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(3,4-dimethylphenyl)-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
Compound ID: | C801-0552 |
Compound Name: | 1-(3,4-dimethylphenyl)-5-{[4-(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(Cc1ccc(cc1)C(F)(F)F)C=N2)=O |
Stereo: | ACHIRAL |
logP: | 4.9862 |
logD: | 4.9862 |
logSw: | -4.5381 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 40.289 |
InChI Key: | PUIJTFKIGICNKE-UHFFFAOYSA-N |