1-(4-methylphenyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(4-methylphenyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-methylphenyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0189 |
| Compound Name: | 1-(4-methylphenyl)-6-({[3-(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: | Cc1ccc(cc1)n1c2c(cn1)C(NC(=N2)SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.892 |
| logD: | 4.8533 |
| logSw: | -4.4844 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.452 |
| InChI Key: | QHCAFFLXDSRKSR-UHFFFAOYSA-N |