AC1NRILE structure

AC1NRILE

2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one

Also Known As: 5-(4-Ethoxy-3-methoxyphenyl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one|2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one

CAS: 7050-35-3
Molecular Formula C26H22N2O7S
Molecular Weight 506.11478 g/mol
LogP 5.0881
Topological Polar Surface Area 111.33 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
Rotatable Bonds 8
Exact Mass 506.11478
Monoisotopic Mass 506.11478
Heavy Atoms 36
Complexity 1489.4874

Chemical Identifiers

CAS Number 7050-35-3
SMILES CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC=CS3)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC)OC

Product Overview

AC1NRILE (CAS 7050-35-3), with molecular formula C26H22N2O7S and molecular weight 506.11478 g/mol. IUPAC: 2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one.

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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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