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
- Formal charge
- 0
- Complexity
- 841
Related reactions
3 records
Compound notes
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