5-(2-methylphenyl)-6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(2-methylphenyl)-6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(2-methylphenyl)-6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K643-0580 |
| Compound Name: | 5-(2-methylphenyl)-6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 416.42 |
| Molecular Formula: | C20 H15 F3 N4 O S |
| Smiles: | Cc1ccccc1N1C(=Nc2c(cn[nH]2)C1=O)SCc1ccc(cc1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.231 |
| logD: | 4.229 |
| logSw: | -4.1797 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.125 |
| InChI Key: | CQDQMAYUDOAEHZ-UHFFFAOYSA-N |