Basic information
- Standard SMILES
CCOC(=O)c1ccc(N=Cc2cc(C)cc(Br)c2)cc1- InChIKey
WVLAKEARMLHQFT-UHFFFAOYSA-N- Molecular formula
- C17H16BrNO2
- Average molar mass
- 346.2 g/mol
- Monoisotopic mass
- 345.03644
Names & identifiers
- Preferred name
- 4-{[1-(3-Bromo-5-methyl-phenyl)-methylidene]-amino}-benzoic acid ethyl ester
- IUPAC
- ethyl 4-[(3-bromo-5-methylphenyl)methylideneamino]benzoate
Names & synonyms
SCHEMBL2534323SCHEMBL2534325WVLAKEARMLHQFT-UHFFFAOYSA-N4-{[1-(3-bromo-5-methyl-phenyl)-methylidene]-amino}-benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 67442289
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Related reactions
4 records
Compound notes
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