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Tert-butyl 2-[(1-benzofuran-4-carbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

HCID 68445127
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CC2CC2C1CNC(=O)c1cccc2occc12
InChIKey
AJHOMWITRXCADB-UHFFFAOYSA-N
Molecular formula
C20H24N2O4
Average molar mass
356.4 g/mol
Monoisotopic mass
356.17360725

Names & identifiers

Preferred name
Tert-butyl 2-[(1-benzofuran-4-carbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
IUPAC
tert-butyl 2-[(1-benzofuran-4-carbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

Names & synonyms

SCHEMBL2930343

Database identifiers

PubChem CID
68445127

Properties

Computed structural propertiesFilling in

XLogP
3
Topological polar surface area
71.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Formal charge
0
Complexity
573

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Related reactions

1 records
New reaction record
HRID 1536710 reaction equation
HRID 1536710As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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