AC1Q6MCR structure

AC1Q6MCR

N-[4-[(E)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]-N-(2-cyanoethyl)methanesulfonamide

Also Known As: n-(4-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5h)-ylidene]methyl}phenyl)-n-(2-cyanoethyl)methanesulfonamide|N-[4-[(E)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]-N-(2-cyanoethyl)methanesulfonamide

CAS: 49865-39-6
Molecular Formula C20H16ClN3O4S
Molecular Weight 429.055 g/mol
LogP 3.36418
Topological Polar Surface Area 99.83 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 429.055
Monoisotopic Mass 429.055
Heavy Atoms 29
Complexity 1148.9939

Chemical Identifiers

CAS Number 49865-39-6
SMILES CS(=O)(=O)N(CCC#N)C1=CC=C(C=C1)/C=C/2\C(=O)OC(=N2)C3=CC=CC=C3Cl

Product Overview

AC1Q6MCR (CAS 49865-39-6), with molecular formula C20H16ClN3O4S and molecular weight 429.055 g/mol. IUPAC: N-[4-[(E)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]-N-(2-cyanoethyl)methanesulfonamide.

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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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