Basic information
- Standard SMILES
COc1cccc(C=Cc2ccc(C(=O)OC(C)(C)C)c(Nc3ccc(F)cc3)c2)c1- InChIKey
GHHYAUPOATXJTA-UHFFFAOYSA-N- Molecular formula
- C26H26FNO3
- Average molar mass
- 419.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-(4-fluoroanilino)-4-[2-(3-methoxyphenyl)ethenyl]benzoate
- IUPAC
- tert-butyl 2-(4-fluoroanilino)-4-[2-(3-methoxyphenyl)ethenyl]benzoate
Names & synonyms
SCHEMBL4218416
Database identifiers
- PubChem CID
- 68960667
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 594
Related reactions
2 records
Compound notes
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