(4-{3-Bromo-5-[2-(4-chloro-phenyl)-ethoxy]-phenylsulfanyl}-2-methyl-phenoxy)acetic acid ethyl ester

HCID 57791905

Basic information

Standard SMILES
CCOC(=O)COc1ccc(Sc2cc(Br)cc(OCCc3ccc(Cl)cc3)c2)cc1C
InChIKey
ZGSVMFYHJUPRQC-UHFFFAOYSA-N
Molecular formula
C25H24BrClO4S
Average molar mass
535.9 g/mol

Names & identifiers

Preferred name
(4-{3-Bromo-5-[2-(4-chloro-phenyl)-ethoxy]-phenylsulfanyl}-2-methyl-phenoxy)acetic acid ethyl ester
IUPAC
ethyl 2-[4-[3-bromo-5-[2-(4-chlorophenyl)ethoxy]phenyl]sulfanyl-2-methylphenoxy]acetate

Names & synonyms

SCHEMBL1417317ZGSVMFYHJUPRQC-UHFFFAOYSA-N(4-{3-Bromo-5-[2-(4-chloro-phenyl)-ethoxy]-phenylsulfanyl}-2-methyl-phenoxy)-acetic acid ethyl ester(4-{3-Bromo-5-[2-(4-chloro-phenyl)-ethoxy]-phenylsulfanyl}-2-methyl-phenoxy)acetic acid ethyl ester

Database identifiers

PubChem CID
57791905

Properties

Computed structural properties

XLogP
7.9
Topological polar surface area
70.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
32

Related reactions

8 records

Linked notes

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