Methyl 4-({[2-(5-fluoro-2-methoxyphenyl)ethyl]imino}methyl)benzoate
Basic information
- Standard SMILES
COC(=O)c1ccc(C=NCCc2cc(F)ccc2OC)cc1- InChIKey
LVWUGUZCDVPLLZ-UHFFFAOYSA-N- Molecular formula
- C18H18FNO3
- Average molar mass
- 315.3 g/mol
Names & identifiers
- Preferred name
- Methyl 4-({[2-(5-fluoro-2-methoxyphenyl)ethyl]imino}methyl)benzoate
- IUPAC
- methyl 4-[2-(5-fluoro-2-methoxyphenyl)ethyliminomethyl]benzoate
Names & synonyms
SCHEMBL2997414SCHEMBL2997416LVWUGUZCDVPLLZ-UHFFFAOYSA-Nmethyl 4-({[2-(5-fluoro-2-methoxyphenyl)ethyl]imino}-methyl)benzoateMethyl 4-({[2-(5-fluoro-2-methoxyphenyl)ethyl]imino}methyl)benzoate
Database identifiers
- PubChem CID
- 22014991
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 394
Related reactions
4 records
Compound notes
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