N-(2-chloro-4-nitrophenyl)-2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chloro-4-nitrophenyl)-2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(2-chloro-4-nitrophenyl)-2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K643-0630 |
| Compound Name: | N-(2-chloro-4-nitrophenyl)-2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 491.31 |
| Molecular Formula: | C19 H12 Cl2 N6 O4 S |
| Smiles: | C(C(Nc1ccc(cc1[Cl])[N+]([O-])=O)=O)SC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4426 |
| logD: | 3.3906 |
| logSw: | -3.9346 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.259 |
| InChI Key: | OXKJGBDNLGUKCM-UHFFFAOYSA-N |