N-(2-chloro-4-nitrophenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-chloro-4-nitrophenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
N-(2-chloro-4-nitrophenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K643-0217 |
| Compound Name: | N-(2-chloro-4-nitrophenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 456.87 |
| Molecular Formula: | C19 H13 Cl N6 O4 S |
| Smiles: | C(C(Nc1ccc(cc1[Cl])[N+]([O-])=O)=O)SC1=Nc2c(cn[nH]2)C(N1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7263 |
| logD: | 2.6743 |
| logSw: | -3.6887 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.259 |
| InChI Key: | WQEJYBJFHQSSNE-UHFFFAOYSA-N |