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4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethylbenzamide

HCID 69941893
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC)C(=O)c1ccc(C(c2cc(O[Si](C)(C)C(C)(C)C)ccc2F)N2CC(C)NCC2C)cc1
InChIKey
HYKACGRKHVVOPK-UHFFFAOYSA-N
Molecular formula
C30H46FN3O2Si
Average molar mass
527.8 g/mol

Names & identifiers

Preferred name
4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethylbenzamide
IUPAC
4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethylbenzamide

Names & synonyms

SCHEMBL6935769

Database identifiers

PubChem CID
69941893

Properties

Computed structural properties

Topological polar surface area
44.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
37
Formal charge
0
Complexity
733

Related reactions

2 records
New reaction record
HRID 958427 reaction equation
HRID 958427As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1122137 reaction equation
HRID 1122137As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes