AC1NR4H9 structure

AC1NR4H9

prop-2-enyl 2-[4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2-(4-pentoxyphenyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Also Known As: Prop-2-en-1-yl 2-{3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-2-oxo-5-[4-(pentyloxy)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate|PROP-2-ENYL 2-[3-HYDROXY-4-(7-METHOXYBENZOFURAN-2-CARBONYL)-2-OXO-5-(4-PENTOXYPHENYL)-5H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE|prop-2-enyl 2-[4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2-(4-pentoxyphenyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

CAS: 7050-31-9
Molecular Formula C33H32N2O8S
Molecular Weight 616.1879 g/mol
LogP 6.90102
Topological Polar Surface Area 128.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
Rotatable Bonds 13
Exact Mass 616.1879
Monoisotopic Mass 616.1879
Heavy Atoms 44
Complexity 1750.9666

Chemical Identifiers

CAS Number 7050-31-9
SMILES CCCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OCC=C)C)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC

Product Overview

AC1NR4H9 (CAS 7050-31-9), with molecular formula C33H32N2O8S and molecular weight 616.1879 g/mol. IUPAC: prop-2-enyl 2-[4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2-(4-pentoxyphenyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.

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