AC1NQJBH structure

AC1NQJBH

[4-[[[2,6-di(propan-2-yl)phenyl]carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate

Also Known As: 4-[({[2,6-Di(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]phenyl 4-fluorobenzene-1-sulfonate|[4-[[[2,6-di(propan-2-yl)phenyl]carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate|3-(2,6-dipropan-2-ylphenyl)-1-[[4-(4-fluorophenyl)sulfonyloxyphenyl]methyl]-1-(2-furylmethyl)urea

CAS: 5963-25-7
Molecular Formula C31H33FN2O5S
Molecular Weight 564.2094 g/mol
LogP 7.6675
Topological Polar Surface Area 88.85 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 10
Exact Mass 564.2094
Monoisotopic Mass 564.2094
Heavy Atoms 40
Complexity 1505.6089

Chemical Identifiers

CAS Number 5963-25-7
SMILES CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Product Overview

AC1NQJBH (CAS 5963-25-7), with molecular formula C31H33FN2O5S and molecular weight 564.2094 g/mol. IUPAC: [4-[[[2,6-di(propan-2-yl)phenyl]carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate.

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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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