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tert-Butyl 4-(4-(tert-butoxycarbonylamino)naphthalen-1-yloxy)pyrimidin-2-ylcarbamate

HCID 68322851
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1nccc(Oc2ccc(NC(=O)OC(C)(C)C)c3ccccc23)n1
InChIKey
WDMLRMRNNFPZKB-UHFFFAOYSA-N
Molecular formula
C24H28N4O5
Average molar mass
452.5 g/mol

Names & identifiers

Preferred name
tert-Butyl 4-(4-(tert-butoxycarbonylamino)naphthalen-1-yloxy)pyrimidin-2-ylcarbamate
IUPAC
tert-butyl N-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]oxypyrimidin-2-yl]carbamate

Names & synonyms

SCHEMBL12596427WDMLRMRNNFPZKB-UHFFFAOYSA-Ntert-Butyl 4-(4-(tert-butoxycarbonylamino)naphthalen-1-yloxy)pyrimidin-2-ylcarbamate

Database identifiers

PubChem CID
68322851

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
112 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
33
Formal charge
0
Complexity
675

Related reactions

3 records
New reaction record
HRID 304815 reaction equation
HRID 304815As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 2069150 reaction equation
HRID 2069150As productuspto-grants-2012_10
HRID 2069151 reaction equation
HRID 2069151As reactantuspto-grants-2012_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes