N-(4-bromophenyl)-2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C365-0306 |
| Compound Name: | N-(4-bromophenyl)-2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 484.37 |
| Molecular Formula: | C21 H18 Br N5 O2 S |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(NC(=N2)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0712 |
| logD: | 5.0082 |
| logSw: | -4.531 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.601 |
| InChI Key: | UTOXJAYDCUIYFA-UHFFFAOYSA-N |