Basic information
- Standard SMILES
CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(OCC)c(OCCO)cc1F- InChIKey
FADCOGQLDPUCNH-UHFFFAOYSA-N- Molecular formula
- C21H23FN2O5
- Average molar mass
- 402.4 g/mol
Names & identifiers
- Preferred name
- (RS)-(4-cyano-phenylamino)-[5-ethoxy-2-fluoro-4-(2-hydroxy-ethoxy)-phenyl]-acetic acid ethyl ester
- IUPAC
- ethyl 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-4-(2-hydroxyethoxy)phenyl]acetate
Names & synonyms
SCHEMBL7139776FADCOGQLDPUCNH-UHFFFAOYSA-N(RS)-(4-cyano-phenylamino)-[5-ethoxy-2-fluoro-4-(2-hydroxy-ethoxy)-phenyl]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 70001799
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 546
Related reactions
1 records
Compound notes
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