2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxy-4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxy-4-nitrophenyl)acetamide
2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxy-4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | K643-0629 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxy-4-nitrophenyl)acetamide |
| Molecular Weight: | 486.89 |
| Molecular Formula: | C20 H15 Cl N6 O5 S |
| Smiles: | COc1cc(ccc1NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Cl])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0158 |
| logD: | 2.9961 |
| logSw: | -3.5628 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.89 |
| InChI Key: | DCSRSNSIIIQHPR-UHFFFAOYSA-N |