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Home > Pyridines > 145350-09-0
145350-09-0 | 2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-1-oxido-2-pyridinyl)ethoxy]phenyl]methyl]-
CAS No: 145350-09-0 Catalog No: AG001KTL MDL No:MFCD00915839
Product Description
Catalog Number:
AG001KTL
Chemical Name:
2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-1-oxido-2-pyridinyl)ethoxy]phenyl]methyl]-
CAS Number:
145350-09-0
Molecular Formula:
C19H20N2O4S
Molecular Weight:
372.4381
MDL Number:
MFCD00915839
IUPAC Name:
5-[[4-[2-(5-ethyl-1-oxidopyridin-1-ium-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C19H20N2O4S/c1-2-13-3-6-15(21(24)12-13)9-10-25-16-7-4-14(5-8-16)11-17-18(22)20-19(23)26-17/h3-8,12,17H,2,9-11H2,1H3,(H,20,22,23)
InChI Key:
YTKQAGFCVMHNHM-UHFFFAOYSA-N
SMILES:
CCc1ccc([n+](c1)[O-])CCOc1ccc(cc1)CC1SC(=O)NC1=O
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.114g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.439g/mol
Monoisotopic Mass:
372.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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