5-[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-5-oxopentanoic acid

HCID 10142002
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Basic information

Standard SMILES
CC1CN(C(=O)COc2ccc(Cl)cc2C(=O)CCCC(=O)O)C(C)CN1Cc1ccc(F)cc1
InChIKey
HUZAGFHEBHQDHO-UHFFFAOYSA-N
Molecular formula
C26H30ClFN2O5
Average molar mass
505 g/mol
Monoisotopic mass
504.1827279

Names & identifiers

Preferred name
5-[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-5-oxopentanoic acid
IUPAC
5-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-5-oxopentanoic acid

Database identifiers

PubChem CID
10142002

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
87.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
35

Related reactions

1 records
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Compound notes

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