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

HCID 67201023
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Basic information

Standard SMILES
CCCc1nc2cc(N(Cc3ccccc3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C
InChIKey
KSVPFCBZLLHCDK-UHFFFAOYSA-N
Molecular formula
C29H32FN3O4S
Average molar mass
537.6 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL1887957KSVPFCBZLLHCDK-UHFFFAOYSA-N{5-[Benzyl-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester

Database identifiers

PubChem CID
67201023

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
89.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
38

Related reactions

2 records
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Compound notes

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