1-(2-hydroxyethyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(2-hydroxyethyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(2-hydroxyethyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F248-0103 |
| Compound Name: | 1-(2-hydroxyethyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 370.35 |
| Molecular Formula: | C15 H13 F3 N4 O2 S |
| Smiles: | C(CO)n1c2c(cn1)C(NC(=N2)SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0998 |
| logD: | 2.081 |
| logSw: | -2.9835 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.221 |
| InChI Key: | FMDVQIKIJHCNES-UHFFFAOYSA-N |