C21H18ClN5OS
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
Also Known As: BAS 05100518|2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,6-dimethylphenyl)acetamide|2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide|2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
CAS: 577698-60-3
| Molecular Formula | C21H18ClN5OS |
|---|---|
| Molecular Weight | 423.09207 g/mol |
| LogP | 4.81654 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.09207 |
| Monoisotopic Mass | 423.09207 |
| Heavy Atoms | 29 |
| Complexity | 1169.3785 |
Chemical Identifiers
| CAS Number | 577698-60-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
C21H18ClN5OS (CAS 577698-60-3), with molecular formula C21H18ClN5OS and molecular weight 423.09207 g/mol. IUPAC: 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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