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120973-48-0 | 2,4-Thiazolidinedione, 5-[(2-benzoyl-5-benzofuranyl)methylene]-
CAS No: 120973-48-0 Catalog No: AG007PCO MDL No:
Product Description
Catalog Number:
AG007PCO
Chemical Name:
2,4-Thiazolidinedione, 5-[(2-benzoyl-5-benzofuranyl)methylene]-
CAS Number:
120973-48-0
Molecular Formula:
C19H11NO4S
Molecular Weight:
349.3599
IUPAC Name:
5-[(2-benzoyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C19H11NO4S/c21-17(12-4-2-1-3-5-12)15-10-13-8-11(6-7-14(13)24-15)9-16-18(22)20-19(23)25-16/h1-10H,(H,20,22,23)
InChI Key:
UCESDIRDMRTRHJ-UHFFFAOYSA-N
SMILES:
O=C1SC(=Cc2ccc3c(c2)cc(o3)C(=O)c2ccccc2)C(=O)N1
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.041g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.36g/mol
Monoisotopic Mass:
349.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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