2-{5-[1-[5-(4-Morpholin-4-yl-phenyl)-furan-2-yl]-meth-(e)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-ylamino}-benzoic acid

HCID 24775729
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Basic information

Standard SMILES
O=C(O)c1ccccc1NN1C(=O)/C(=C\c2ccc(-c3ccc(N4CCOCC4)cc3)o2)SC1=S
InChIKey
LVFCZDWINLWBRE-PXLXIMEGSA-N
Molecular formula
C25H21N3O5S2
Average molar mass
507.6 g/mol
Monoisotopic mass
507.09226313

Names & identifiers

Preferred name
2-{5-[1-[5-(4-Morpholin-4-yl-phenyl)-furan-2-yl]-meth-(e)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-ylamino}-benzoic acid
IUPAC
2-[[(5E)-5-[[5-(4-morpholin-4-ylphenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]benzoic acid

Names & synonyms

SCHEMBL3039639LVFCZDWINLWBRE-PXLXIMEGSA-N2-{5-[1-[5-(4-morpholin-4-yl-phenyl)-furan-2-yl]-meth-(e)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-ylamino}-benzoic acid

Database identifiers

PubChem CID
24775729

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
153 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
35

Related reactions

1 records
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Linked notes

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