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3,8-Dibenzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione

HCID 16637490
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Basic information

Standard SMILES
O=C1C2CCC(C(=O)N1Cc1ccccc1)N2Cc1ccccc1
InChIKey
LKVTXNIRGKPDGH-UHFFFAOYSA-N
Molecular formula
C20H20N2O2
Average molar mass
320.4 g/mol

Names & identifiers

Preferred name
3,8-Dibenzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
IUPAC
3,8-dibenzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione

Names & synonyms

3,8-dibenzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione37061-44-2SCHEMBL10008035LKVTXNIRGKPDGH-UHFFFAOYSA-NAKOS000276716AKOS040764338

Database identifiers

PubChem CID
16637490

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
40.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Formal charge
0
Complexity
456

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Related reactions

5 records
New reaction record
HRID 336129 reaction equation
HRID 336129As productuspto-grants-2014_11
HRID 336130 reaction equation
HRID 336130As reactantuspto-grants-2014_11
HRID 1138237 reaction equation
HRID 1138237As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1478950 reaction equation
HRID 1478950As reactantuspto-grants-2016_08
HRID 1497420 reaction equation
HRID 1497420As reactantuspto-grants-2015_12

Compound notes

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