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3-[5,5-dimethyl-4-[4-(morpholin-4-ylmethyl)phenyl]furan-2-ylidene]-2-oxo-1H-indole-5-carboxylic acid

HCID 69403577
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)OC(=C2C(=O)Nc3ccc(C(=O)O)cc32)C=C1c1ccc(CN2CCOCC2)cc1
InChIKey
YPADIKNBDSPTON-UHFFFAOYSA-N
Molecular formula
C26H26N2O5
Average molar mass
446.5 g/mol

Names & identifiers

Preferred name
3-[5,5-dimethyl-4-[4-(morpholin-4-ylmethyl)phenyl]furan-2-ylidene]-2-oxo-1H-indole-5-carboxylic acid
IUPAC
3-[5,5-dimethyl-4-[4-(morpholin-4-ylmethyl)phenyl]furan-2-ylidene]-2-oxo-1H-indole-5-carboxylic acid

Names & synonyms

SCHEMBL5320388

Database identifiers

PubChem CID
69403577

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
88.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
33
Formal charge
0
Complexity
849

Related reactions

1 records
New reaction record
HRID 1221234 reaction equation
HRID 1221234As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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