AC1Q6WDI
methanesulfonic acid;2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine
Also Known As: 2-(4-9h-purinedimethanesulfonate|2-(4- -9H-purinedimethanesulfonate|2-(4-(alpha,alpha,alpha-Trifluoro-m-tolyl)-1-piperazinyl)-9H-purine dimethanesulfonate|9H-Purine, 2-(4-(alpha,lapha,alpha-trifluoro-m-tolyl)-1-piperazinyl)-, bis(methanesulfonate)|2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-7h-purine methanesulfonate(1:2)|1H-Purine, 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-, dimethanesulfonate|2-(4-(Alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)-9H-purine di methanesulfonate|methanesulfonic acid,2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine|Methanesulfonic acid--2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-7H-purine (2/1)|methanesulfonic acid; 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine
| Molecular Formula | C18H23F3N6O6S2 |
|---|---|
| Molecular Weight | 540.10724 g/mol |
| LogP | 1.7063 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 2 |
| Exact Mass | 540.10724 |
| Monoisotopic Mass | 540.10724 |
| Heavy Atoms | 35 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 42753-75-3 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC=C4C(=N3)N=CN4 |
| InChIKey | HMEOMVYRWWYLKG-UHFFFAOYSA-N |
Product Overview
AC1Q6WDI (CAS 42753-75-3), with molecular formula C18H23F3N6O6S2 and molecular weight 540.10724 g/mol. IUPAC: methanesulfonic acid;2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine.