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5-Bromo-3-[5-(2-dimethylamino-ethoxy)-1H-indol-2-ylmethylene]-1,3-dihydro-indol-2-one

HCID 69586792
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)CCOc1ccc2[nH]c(C=C3C(=O)Nc4ccc(Br)cc43)cc2c1
InChIKey
CKCSMJMNOZQRCM-UHFFFAOYSA-N
Molecular formula
C21H20BrN3O2
Average molar mass
426.3 g/mol

Names & identifiers

Preferred name
5-Bromo-3-[5-(2-dimethylamino-ethoxy)-1H-indol-2-ylmethylene]-1,3-dihydro-indol-2-one
IUPAC
5-bromo-3-[[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methylidene]-1H-indol-2-one

Names & synonyms

SCHEMBL5841536CKCSMJMNOZQRCM-UHFFFAOYSA-N5-Bromo-3-[5-(2-dimethylamino-ethoxy)-1H-indol-2-ylmethylene]-1,3-dihydro-indol-2-one

Database identifiers

PubChem CID
69586792

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
57.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
27
Formal charge
0
Complexity
582

Related reactions

3 records
New reaction record
HRID 49070 reaction equation
HRID 49070As productuspto-grants-2004_03
HRID 672509 reaction equation
HRID 672509As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1790921 reaction equation
HRID 1790921As productuspto-grants-2006_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes