Basic information
- Standard SMILES
CCOC(=O)Cc1cccc(Oc2ccc(Br)cc2CN2CC(c3ccc(Cl)cc3)CC2=O)c1- InChIKey
QTEYPERXEWRLHT-UHFFFAOYSA-N- Molecular formula
- C27H25BrClNO4
- Average molar mass
- 542.8 g/mol
Names & identifiers
- Preferred name
- (3-{4-Bromo-2-[4-(4-chloro-phenyl)-2-oxo-pyrrolidin-1-ylmethyl]-phenoxy}-phenyl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-[3-[4-bromo-2-[[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]methyl]phenoxy]phenyl]acetate
Names & synonyms
SCHEMBL1643048QTEYPERXEWRLHT-UHFFFAOYSA-N(3-{4-Bromo-2-[4-(4-chloro-phenyl)-2-oxo-pyrrolidin-1-ylmethyl]-phenoxy}-phenyl)-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 58237462
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 686
Related reactions
2 records
Compound notes
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