UNII-0BF7P54LT9
benzenesulfonic acid;1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
Also Known As: CRA-0450|R-278995|4-Pyridinecarboxamide, 1-(8-(2,4-dichlorophenyl)-2-methyl-4-quinolinyl)-1,2,3,6-tetrahydro-, monobenzenesulfonate|4-Pyridinecarboxamide, 1-(8-(2,4-dichlorophenyl)-2-methyl-4-quinolinyl)-1,2,3,6-tetrahydro-, benzenesulfonate (1:1)
CAS: 694491-71-9
| Molecular Formula | C28H25Cl2N3O4S |
|---|---|
| Molecular Weight | 569.0943 g/mol |
| LogP | 6.07212 |
| Topological Polar Surface Area | 113.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 569.0943 |
| Monoisotopic Mass | 569.0943 |
| Heavy Atoms | 38 |
| Complexity | 1641.2454 |
Chemical Identifiers
| CAS Number | 694491-71-9 |
|---|---|
| SMILES | CC1=CC(=C2C=CC=C(C2=N1)C3=C(C=C(C=C3)Cl)Cl)N4CCC(=CC4)C(=O)N.C1=CC=C(C=C1)S(=O)(=O)O |
Product Overview
UNII-0BF7P54LT9 (CAS 694491-71-9), with molecular formula C28H25Cl2N3O4S and molecular weight 569.0943 g/mol. IUPAC: benzenesulfonic acid;1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carboxamide.
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.
View MSDS →
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