N-(4-acetamidophenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
N-(4-acetamidophenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K643-0214 |
| Compound Name: | N-(4-acetamidophenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 434.48 |
| Molecular Formula: | C21 H18 N6 O3 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6852 |
| logD: | 1.684 |
| logSw: | -2.4617 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.838 |
| InChI Key: | CTNIKKQTBZWJAI-UHFFFAOYSA-N |