{5-[(Cyclohexyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester

HCID 67199864
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Basic information

Standard SMILES
CCCc1nc2cc(N(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C
InChIKey
OHMHDTJMRBMFRG-UHFFFAOYSA-N
Molecular formula
C28H36FN3O4S
Average molar mass
529.7 g/mol

Names & identifiers

Preferred name
{5-[(Cyclohexyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester
IUPAC
tert-butyl 2-[5-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-2-propylbenzimidazol-1-yl]acetate

Names & synonyms

SCHEMBL1884533OHMHDTJMRBMFRG-UHFFFAOYSA-N{5-[(Cyclohexyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester

Database identifiers

PubChem CID
67199864

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
89.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
37

Related reactions

4 records
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Compound notes

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