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303798-57-4 | 6-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CAS No: 303798-57-4 Catalog No: AG019GQE MDL No:MFCD00703654
Product Description
Catalog Number:
AG019GQE
Chemical Name:
6-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CAS Number:
303798-57-4
Molecular Formula:
C17H19NO4S2
Molecular Weight:
365.4671
MDL Number:
MFCD00703654
IUPAC Name:
6-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
InChI:
InChI=1S/C17H19NO4S2/c1-22-13-8-6-12(7-9-13)11-14-16(21)18(17(23)24-14)10-4-2-3-5-15(19)20/h6-9,11H,2-5,10H2,1H3,(H,19,20)
InChI Key:
VRMAQEDFRXMZMG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)O
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.076g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.462g/mol
Monoisotopic Mass:
365.076g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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