AC1O3B4H structure

AC1O3B4H

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

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

CAS: 893698-07-2
Molecular Formula C36H30N2O5S
Molecular Weight 602.18756 g/mol
LogP 7.44184
Topological Polar Surface Area 88.96 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 602.18756
Monoisotopic Mass 602.18756
Heavy Atoms 44
Complexity 1979.7249

Chemical Identifiers

CAS Number 893698-07-2
SMILES CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NC5=C(C=C(C=C5S4)C)C)C6=CC(=CC=C6)OCC7=CC=CC=C7)/O

Product Overview

AC1O3B4H (CAS 893698-07-2), with molecular formula C36H30N2O5S and molecular weight 602.18756 g/mol. IUPAC: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione.

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