AC1O2DHW structure

AC1O2DHW

(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)pyrrolidine-2,3-dione

Also Known As: (4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)pyrrolidine-2,3-dione|1-(5-acetyl-4-methylthiazol-2-yl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-5-(3-ethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one

CAS: 577761-57-0
Molecular Formula C27H24N2O7S
Molecular Weight 520.13043 g/mol
LogP 4.45032
Topological Polar Surface Area 115.26 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
Rotatable Bonds 6
Exact Mass 520.13043
Monoisotopic Mass 520.13043
Heavy Atoms 37
Complexity 1458.6814

Chemical Identifiers

CAS Number 577761-57-0
SMILES CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2C5=NC(=C(S5)C(=O)C)C

Product Overview

AC1O2DHW (CAS 577761-57-0), with molecular formula C27H24N2O7S and molecular weight 520.13043 g/mol. IUPAC: (4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)pyrrolidine-2,3-dione.

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