2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | K781-0523 |
| Compound Name: | 2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8222 |
| logD: | 3.821 |
| logSw: | -3.8269 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.576 |
| InChI Key: | ZEICOWVOYBQUOR-UHFFFAOYSA-N |