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tert-Butyl 1-(1-(3-fluorobenzyl)-1H-imidazol-2-yl)-2-(7-methyl-2-((2-(trimethylsilyl)ethoxy)methyl)-2H-indazol-5-yl)ethylcarbamate

HCID 57794677
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(CC(NC(=O)OC(C)(C)C)c2nccn2Cc2cccc(F)c2)cc2cn(COCC[Si](C)(C)C)nc12
InChIKey
LTOLIOSYYCVEGE-UHFFFAOYSA-N
Molecular formula
C31H42FN5O3Si
Average molar mass
579.8 g/mol

Names & identifiers

Preferred name
tert-Butyl 1-(1-(3-fluorobenzyl)-1H-imidazol-2-yl)-2-(7-methyl-2-((2-(trimethylsilyl)ethoxy)methyl)-2H-indazol-5-yl)ethylcarbamate
IUPAC
tert-butyl N-[1-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethyl]carbamate

Names & synonyms

SCHEMBL13756204LTOLIOSYYCVEGE-UHFFFAOYSA-N(+/-)-tert-Butyl 1-(1-(3-fluorobenzyl)-1H-imidazol-2-yl)-2-(7-methyl-2-((2-(trimethylsilyl)ethoxy)methyl)-2H-indazol-5-yl)ethylcarbamatetert-Butyl 1-(1-(3-fluorobenzyl)-1H-imidazol-2-yl)-2-(7-methyl-2-((2-(trimethylsilyl)ethoxy)methyl)-2H-indazol-5-yl)ethylcarbamate

Database identifiers

PubChem CID
57794677

Properties

Computed structural propertiesFilling in

Topological polar surface area
83.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
13
Heavy atoms
41
Formal charge
0
Complexity
840

Related reactions

3 records
New reaction record
HRID 2099780 reaction equation
HRID 2099780As productuspto-grants-2009_08
HRID 2099788 reaction equation
HRID 2099788As reactantuspto-grants-2009_08
HRID 2343777 reaction equation
HRID 2343777As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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