6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0254 |
| Compound Name: | 6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C19 H14 Cl F N4 O S |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)C(NC(=N2)SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8843 |
| logD: | 4.8656 |
| logSw: | -4.8679 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.452 |
| InChI Key: | NSHTUOZSEWMBHQ-UHFFFAOYSA-N |