(2R)-2-[4'-(2-Benzyl-benzo[b]thiophene-3-yl)-3,5-dibromo-biphenyl-4-yloxy]-3-phenyl-propionic acid

HCID 9810271

Basic information

Standard SMILES
O=C(O)[C@@H](Cc1ccccc1)Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br
InChIKey
KKUFFRZDMKEAGO-WJOKGBTCSA-N
Molecular formula
C36H26Br2O3S
Average molar mass
698.5 g/mol

Names & identifiers

Preferred name
(2R)-2-[4'-(2-Benzyl-benzo[b]thiophene-3-yl)-3,5-dibromo-biphenyl-4-yloxy]-3-phenyl-propionic acid
IUPAC
(2R)-2-[4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2,6-dibromophenoxy]-3-phenylpropanoic acid

Names & synonyms

CHEMBL1083714SCHEMBL7499892KKUFFRZDMKEAGO-WJOKGBTCSA-NBDBM50416047(2R)-2-[4'-(2-Benzyl-benzo[b]thiophene-3-yl)-3,5-dibromo-biphenyl-4-yloxy]-3-phenyl-propionic acid

Database identifiers

PubChem CID
9810271
ChEMBL
CHEMBL1083714

Properties

Computed structural properties

XLogP
11.1
Topological polar surface area
74.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
42

Related reactions

3 records

Compound notes

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