Stk027926
N-benzyl-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide
Also Known As: CCG-3408|BIM-0009851.P001|4-(benzylcarbamoyl)-1-[2-(biphenyl-4-yl)-2-oxoethyl]pyridinium bromide|4-(Benzylcarbamoyl)-1-[2-([1,1'-biphenyl]-4-yl)-2-oxoethyl]pyridin-1-ium bromide|4-[(benzylamino)carbonyl]-1-[2-(4-biphenylyl)-2-oxoethyl]pyridinium bromide|N-benzyl-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide|N-benzyl-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide,bromide|N-benzyl-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide;bromide
| Molecular Formula | C27H23BrN2O2 |
|---|---|
| Molecular Weight | 486.0943 g/mol |
| LogP | 1.458 |
| Topological Polar Surface Area | 50.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.0943 |
| Monoisotopic Mass | 486.0943 |
| Heavy Atoms | 32 |
| Complexity | 1159.9609 |
Chemical Identifiers
| CAS Number | 5864-98-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-] |
Product Overview
Stk027926 (CAS 5864-98-2), with molecular formula C27H23BrN2O2 and molecular weight 486.0943 g/mol. IUPAC: N-benzyl-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide.