AC1O2VOC structure

AC1O2VOC

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

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

CAS: 893697-84-2
Molecular Formula C33H31ClN2O6S
Molecular Weight 618.1591 g/mol
LogP 7.477
Topological Polar Surface Area 98.19 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 9
Exact Mass 618.1591
Monoisotopic Mass 618.1591
Heavy Atoms 43
Complexity 1765.6268

Chemical Identifiers

CAS Number 893697-84-2
SMILES CCCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\O)/C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)Cl)OC

Product Overview

AC1O2VOC (CAS 893697-84-2), with molecular formula C33H31ClN2O6S and molecular weight 618.1591 g/mol. IUPAC: (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-methoxy-4-pentoxyphenyl)pyrrolidine-2,3-dione.

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