1-(3,4-dimethylphenyl)-6-[(prop-2-en-1-yl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-6-[(prop-2-en-1-yl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(3,4-dimethylphenyl)-6-[(prop-2-en-1-yl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0261 |
| Compound Name: | 1-(3,4-dimethylphenyl)-6-[(prop-2-en-1-yl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 312.39 |
| Molecular Formula: | C16 H16 N4 O S |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(NC(=N2)SCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1358 |
| logD: | 4.0583 |
| logSw: | -4.0956 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.723 |
| InChI Key: | KJRRYLHOYSAFEI-UHFFFAOYSA-N |