6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0023 |
| Compound Name: | 6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cc1ccc(C)c(CSC2NC(c3cnn(c4ccccc4)c3N=2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8178 |
| logD: | 4.7791 |
| logSw: | -4.3737 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.452 |
| InChI Key: | CQAIXTARFQJUFI-UHFFFAOYSA-N |