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6-(4-(((5-Fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)hexanoic acid methyl ester

HCID 136387976
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)CCCCCNC(=O)c1ccc(C=NN=C2C(=O)Nc3ccc(F)cc32)cc1
InChIKey
DRHBKHGDDQQCMZ-UHFFFAOYSA-N
Molecular formula
C23H23FN4O4
Average molar mass
438.5 g/mol

Names & identifiers

Preferred name
6-(4-(((5-Fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)hexanoic acid methyl ester
IUPAC
methyl 6-[[4-[[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]benzoyl]amino]hexanoate

Names & synonyms

SCHEMBL4411620DRHBKHGDDQQCMZ-UHFFFAOYSA-N6-(4-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)-hexanoic acid methyl ester6-(4-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)hexanoic acid methyl ester

Database identifiers

PubChem CID
136387976

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
32
Formal charge
0
Complexity
734

Related reactions

4 records
New reaction record
HRID 90703 reaction equation
HRID 90703As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 251683 reaction equation
HRID 251683As productuspto-grants-2011_01
HRID 251684 reaction equation
HRID 251684As reactantuspto-grants-2011_01
HRID 1210643 reaction equation
HRID 1210643As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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