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8-(4-(((5-Fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)octanoic acid

HCID 136387982
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CCCCCCCNC(=O)c1ccc(C=NN=C2C(=O)Nc3ccc(F)cc32)cc1
InChIKey
QMTPJIWCFKUHEG-UHFFFAOYSA-N
Molecular formula
C24H25FN4O4
Average molar mass
452.5 g/mol
Monoisotopic mass
452.18598345

Names & identifiers

Preferred name
8-(4-(((5-Fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)octanoic acid
IUPAC
8-[[4-[[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]benzoyl]amino]octanoic acid

Names & synonyms

SCHEMBL4418334QMTPJIWCFKUHEG-UHFFFAOYSA-N8-(4-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)-octanoic acid8-(4-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)octanoic acid

Database identifiers

PubChem CID
136387982

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
120 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
33
Formal charge
0
Complexity
749

Related reactions

5 records
New reaction record
HRID 251688 reaction equation
HRID 251688As productuspto-grants-2011_01
HRID 251689 reaction equation
HRID 251689As reactantuspto-grants-2011_01
HRID 251690 reaction equation
HRID 251690As reactantuspto-grants-2011_01
HRID 291486 reaction equation
HRID 291486As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 802922 reaction equation
HRID 802922As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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