1-(4-chlorophenyl)-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-chlorophenyl)-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C801-0322 |
| Compound Name: | 1-(4-chlorophenyl)-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 404.78 |
| Molecular Formula: | C19 H12 Cl F3 N4 O |
| Smiles: | C(c1ccc(cc1)C(F)(F)F)N1C=Nc2c(cnn2c2ccc(cc2)[Cl])C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.4534 |
| logD: | 4.4534 |
| logSw: | -4.7646 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.289 |
| InChI Key: | YBUWTCSWFPXSGA-UHFFFAOYSA-N |