AC1O2JYM structure

AC1O2JYM

(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione

Also Known As: 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one|(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione|(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione

CAS: 893699-70-2
Molecular Formula C31H28N2O7S
Molecular Weight 572.16174 g/mol
LogP 5.58022
Topological Polar Surface Area 107.42 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
Rotatable Bonds 6
Exact Mass 572.16174
Monoisotopic Mass 572.16174
Heavy Atoms 41
Complexity 1733.6953

Chemical Identifiers

CAS Number 893699-70-2
SMILES CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CC(=C(C(=C6)OC)OC)OC)/O

Product Overview

AC1O2JYM (CAS 893699-70-2), with molecular formula C31H28N2O7S and molecular weight 572.16174 g/mol. IUPAC: (4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione.

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