Oprea1_023552 structure

Oprea1_023552

ethyl 5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-2-phenylpyridine-3-carboxylate

Also Known As: Oprea1_023552|Oprea1_530278|BAS 02876388|ethyl 5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-4-methyl-2-phenylnicotinate|ethyl 5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethylthio]-4-methyl-2-phenylpyridine -3-carboxylate|ethyl 5-cyano-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-methyl-2-phenylpyridine-3-carboxylate

CAS: 289686-03-9
Molecular Formula C25H22N2O4S
Molecular Weight 446.13004 g/mol
LogP 5.089
Topological Polar Surface Area 89.28 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 8
Exact Mass 446.13004
Monoisotopic Mass 446.13004
Heavy Atoms 32
Complexity 1169.2866

Chemical Identifiers

CAS Number 289686-03-9
SMILES CCOC(=O)C1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

Product Overview

Oprea1_023552 (CAS 289686-03-9), with molecular formula C25H22N2O4S and molecular weight 446.13004 g/mol. IUPAC: ethyl 5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-2-phenylpyridine-3-carboxylate.

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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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