[5-(4-Fluoro-benzenesulfonylamino)-2-propyl-benzoimidazol-1-yl]-acetic acid tert-butyl ester

HCID 67201670

Basic information

Standard SMILES
CCCc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C
InChIKey
VPEYQQLNFYHVPX-UHFFFAOYSA-N
Molecular formula
C22H26FN3O4S
Average molar mass
447.5 g/mol

Names & identifiers

Preferred name
[5-(4-Fluoro-benzenesulfonylamino)-2-propyl-benzoimidazol-1-yl]-acetic acid tert-butyl ester
IUPAC
tert-butyl 2-[5-[(4-fluorophenyl)sulfonylamino]-2-propylbenzimidazol-1-yl]acetate

Names & synonyms

SCHEMBL1889802VPEYQQLNFYHVPX-UHFFFAOYSA-N[5-(4-Fluoro-benzenesulfonylamino)-2-propyl-benzoimidazol-1-yl]-acetic acid tert-butyl ester[5-(4-fluoro-benzenesulfonylamino)-2-propyl-berizoimidazol-1-yl]-acetic acid tert-butyl ester

Database identifiers

PubChem CID
67201670

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
98.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
31

Related reactions

39 records

Compound notes

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