N-[(3-chlorophenyl)methyl]-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
N-[(3-chlorophenyl)methyl]-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K781-0519 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C20 H16 Cl N5 O2 S |
| Smiles: | C(c1cccc(c1)[Cl])NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8627 |
| logD: | 2.8604 |
| logSw: | -3.7213 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.898 |
| InChI Key: | YWLGDNDGIAZNDD-UHFFFAOYSA-N |