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Tert-butyl 4-oxo-2-[[4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate (HCID 72393416)|Huagongshe
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Compound
Tert-butyl 4-oxo-2-[[4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
HCID
72393416
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1
InChIKey
BIBGNROSHWPSJX-UHFFFAOYSA-N
Molecular formula
C21H23N3O5
Average molar mass
397.4 g/mol
Names & identifiers
Preferred name
Tert-butyl 4-oxo-2-[[4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
IUPAC
tert-butyl 4-oxo-2-[[4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
Database identifiers
PubChem CID
72393416
Properties
Computed structural properties
XLogP
1.6
Topological polar surface area
96 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Formal charge
0
Complexity
744
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Related reactions
1 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
1217837
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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