AC1NYJP6 structure

AC1NYJP6

ethyl 2-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Also Known As: Oprea1_695432|ethyl 2-(2-(2-fluorophenyl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate|ethyl 2-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate|ethyl 2-{(3E)-2-(2-fluorophenyl)-3-[hydroxy(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate|ethyl 2-{2-(2-fluorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate|ethyl 2-{5-(2-fluorophenyl)-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-2-oxo(3-py rrolinyl)}-4-methyl-1,3-thiazole-5-carboxylate

CAS: 384374-29-2
Molecular Formula C25H21FN2O6S
Molecular Weight 496.11044 g/mol
LogP 4.40222
Topological Polar Surface Area 106.03 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 6
Exact Mass 496.11044
Monoisotopic Mass 496.11044
Heavy Atoms 35
Complexity 1348.2418

Chemical Identifiers

CAS Number 384374-29-2
SMILES CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C2=O)C4=CC=CC=C4F)C

Product Overview

AC1NYJP6 (CAS 384374-29-2), with molecular formula C25H21FN2O6S and molecular weight 496.11044 g/mol. IUPAC: ethyl 2-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-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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