1-(4-methylphenyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(4-methylphenyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-methylphenyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0253 |
| Compound Name: | 1-(4-methylphenyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 376.44 |
| Molecular Formula: | C20 H16 N4 O2 S |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)C(NC(=N2)SCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5553 |
| logD: | 3.5096 |
| logSw: | -3.7419 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.699 |
| InChI Key: | LQPSWOHMSSVRMG-UHFFFAOYSA-N |