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301688-58-4 | 6-[4-OXO-2-THIOXO-5-(3,4,5-TRIMETHOXY-BENZYLIDENE)-THIAZOLIDIN-3-YL]-HEXA+
CAS No: 301688-58-4 Catalog No: AG019GQF MDL No:MFCD01472227
Product Description
Catalog Number:
AG019GQF
Chemical Name:
6-[4-OXO-2-THIOXO-5-(3,4,5-TRIMETHOXY-BENZYLIDENE)-THIAZOLIDIN-3-YL]-HEXA+
CAS Number:
301688-58-4
Molecular Formula:
C19H23NO6S2
Molecular Weight:
425.5190
MDL Number:
MFCD01472227
IUPAC Name:
6-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]hexanoic acid
InChI:
InChI=1S/C19H23NO6S2/c1-24-13-9-12(10-14(25-2)17(13)26-3)11-15-18(23)20(19(27)28-15)8-6-4-5-7-16(21)22/h9-11H,4-8H2,1-3H3,(H,21,22)/b15-11-
InChI Key:
IVQFOPBPIIFIPF-PTNGSMBKSA-N
SMILES:
COc1cc(C=C2SC(=S)N(C2=O)CCCCCC(=O)O)cc(c1OC)OC
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
425.097g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
425.514g/mol
Monoisotopic Mass:
425.097g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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