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3-[5-(2-Morpholin-4-yl-ethoxy)-1H-indol-2-ylmethylene]-2-oxo-2,3-dihydro-1H-indol-5-sulfonic acid dimethylamide

HCID 69586786
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(C)S(=O)(=O)c1ccc2c(c1)C(=Cc1cc3cc(OCCN4CCOCC4)ccc3[nH]1)C(=O)N2
InChIKey
PWBKNEFTBFJCGX-UHFFFAOYSA-N
Molecular formula
C25H28N4O5S
Average molar mass
496.6 g/mol

Names & identifiers

Preferred name
3-[5-(2-Morpholin-4-yl-ethoxy)-1H-indol-2-ylmethylene]-2-oxo-2,3-dihydro-1H-indol-5-sulfonic acid dimethylamide
IUPAC
N,N-dimethyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide

Names & synonyms

SCHEMBL5841510PWBKNEFTBFJCGX-UHFFFAOYSA-N3-[5-(2-Morpholin-4-yl-ethoxy)-1H-indol-2-ylmethylene]-2-oxo-2,3-dihydro-1H-indol-5-sulfonic acid dimethylamide3-[5-(2-Morpholin-4-yl-ethoxy)-1H-indol-2-ylmethylene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid dimethylamide

Database identifiers

PubChem CID
69586786

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
112 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
35
Formal charge
0
Complexity
898

Related reactions

2 records
New reaction record
HRID 49096 reaction equation
HRID 49096As productuspto-grants-2004_03
HRID 1201438 reaction equation
HRID 1201438As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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