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Ethyl 5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-oxopent-4-enoate (HCID 69239377)|Huagongshe
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Compound
Ethyl 5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-oxopent-4-enoate
HCID
69239377
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCOC(=O)CC(=O)C=Cc1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C
InChIKey
SZQMPNZYYHBKQS-UHFFFAOYSA-N
Molecular formula
C24H24FNO3
Average molar mass
393.4 g/mol
Names & identifiers
Preferred name
Ethyl 5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-oxopent-4-enoate
IUPAC
ethyl 5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-oxopent-4-enoate
Names & synonyms
SCHEMBL4913756
Database identifiers
PubChem CID
69239377
Properties
Computed structural properties
XLogP
5
Topological polar surface area
48.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
29
Formal charge
0
Complexity
597
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
956429
As product
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
2133203
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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