1-(4-fluorophenyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-fluorophenyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C099-0311 |
| Compound Name: | 1-(4-fluorophenyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 420.39 |
| Molecular Formula: | C19 H12 F4 N4 O S |
| Smiles: | C(c1cccc(c1)C(F)(F)F)SC1NC(c2cnn(c3ccc(cc3)F)c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4977 |
| logD: | 4.459 |
| logSw: | -4.2443 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.452 |
| InChI Key: | GIPBXYIJSVYOGR-UHFFFAOYSA-N |