4-{[(4-Carboxybutyl)(2-{5-fluoro-2-[(4'-methyl-1,1'-biphenyl-4-yl)-methoxy]phenyl}ethyl)amino]methyl}benzoic acid
Basic information
- Standard SMILES
Cc1ccc(-c2ccc(COc3ccc(F)cc3CCN(CCCCC(=O)O)Cc3ccc(C(=O)O)cc3)cc2)cc1- InChIKey
WERLEYIZSUSLNZ-UHFFFAOYSA-N- Molecular formula
- C35H36FNO5
- Average molar mass
- 569.7 g/mol
Names & identifiers
- Preferred name
- 4-{[(4-Carboxybutyl)(2-{5-fluoro-2-[(4'-methyl-1,1'-biphenyl-4-yl)-methoxy]phenyl}ethyl)amino]methyl}benzoic acid
- IUPAC
- 4-[[4-carboxybutyl-[2-[5-fluoro-2-[[4-(4-methylphenyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid
Names & synonyms
SCHEMBL2995595WERLEYIZSUSLNZ-UHFFFAOYSA-N4-{[(4-Carboxybutyl)(2-{5-fluoro-2-[(4'-methyl-1,1'-biphenyl-4-yl)-methoxy]phenyl}ethyl)amino]methyl}benzoic acid
Database identifiers
- PubChem CID
- 22015044
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 801
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…