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
- Formal charge
- 0
- Complexity
- 560
Related reactions
8 records
Linked notes
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