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378776-72-8 | 6-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CAS No: 378776-72-8 Catalog No: AG019GPS MDL No:MFCD02349047
Product Description
Catalog Number:
AG019GPS
Chemical Name:
6-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CAS Number:
378776-72-8
Molecular Formula:
C18H21NO4S2
Molecular Weight:
379.4936
MDL Number:
MFCD02349047
IUPAC Name:
6-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
InChI:
InChI=1S/C18H21NO4S2/c1-2-23-14-9-7-13(8-10-14)12-15-17(22)19(18(24)25-15)11-5-3-4-6-16(20)21/h7-10,12H,2-6,11H2,1H3,(H,20,21)
InChI Key:
QBMFDYUYKLOXHK-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)O
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.091g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.489g/mol
Monoisotopic Mass:
379.091g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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