Basic information
- Standard SMILES
CCN(Cc1ccccc1F)C(=O)COc1ccc(CCSc2ccccc2C(=O)O)cc1- InChIKey
JETDSOLOBQIIBF-UHFFFAOYSA-N- Molecular formula
- C26H26FNO4S
- Average molar mass
- 467.6 g/mol
Names & identifiers
- Preferred name
- 2-{[2-(4-{2-[Ethyl(2-fluorobenzyl)amino]-2-oxoethoxy}phenyl)ethyl]-thio}benzoic acid
- IUPAC
- 2-[2-[4-[2-[ethyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]phenyl]ethylsulfanyl]benzoic acid
Names & synonyms
SCHEMBL4964316JETDSOLOBQIIBF-UHFFFAOYSA-N2-{[2-(4-{2-[ethyl(2-fluorobenzyl)amino]-2-oxoethoxy}phenyl)ethyl]-thio}benzoic acid
Database identifiers
- PubChem CID
- 10073280
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 613
Related reactions
2 records
Compound notes
Loading…