N-(2-chloro-4-nitrophenyl)-2-{[5-(4-methoxyphenyl)-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-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(2-chloro-4-nitrophenyl)-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-5734 |
| Compound Name: | N-(2-chloro-4-nitrophenyl)-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 486.89 |
| Molecular Formula: | C20 H15 Cl N6 O5 S |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c(cn[nH]2)C1=O)SCC(Nc1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8302 |
| logD: | 2.7782 |
| logSw: | -3.5545 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.803 |
| InChI Key: | NGPURLZEVYBFHQ-UHFFFAOYSA-N |