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4-[[4-[(5-Chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methoxyimino]-4-phenylbutanoic acid

HCID 173201166
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CCC(=NOCc1ccc(OCc2cn3c(Cl)cccc3n2)cc1)c1ccccc1
InChIKey
JQWMFUHBQHAGJU-UHFFFAOYSA-N
Molecular formula
C25H22ClN3O4
Average molar mass
463.9 g/mol
Monoisotopic mass
463.1298839

Names & identifiers

Preferred name
4-[[4-[(5-Chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methoxyimino]-4-phenylbutanoic acid
IUPAC
4-[[4-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methoxyimino]-4-phenylbutanoic acid

Names & synonyms

SCHEMBL6157375

Database identifiers

PubChem CID
173201166

Properties

Computed structural propertiesFilling in

XLogP
5.4
Topological polar surface area
85.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
33
Formal charge
0
Complexity
650

Related reactions

1 records
New reaction record
HRID 2322196 reaction equation
HRID 2322196As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes