Methyl 4-({(5-ethoxy-5-oxopentyl)[2-(5-fluoro-2-methoxy-phenyl)ethyl]amino}methyl)benzoate
Basic information
- Standard SMILES
CCOC(=O)CCCCN(CCc1cc(F)ccc1OC)Cc1ccc(C(=O)OC)cc1- InChIKey
PGWCJAARLWMGEQ-UHFFFAOYSA-N- Molecular formula
- C25H32FNO5
- Average molar mass
- 445.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-({(5-ethoxy-5-oxopentyl)[2-(5-fluoro-2-methoxy-phenyl)ethyl]amino}methyl)benzoate
- IUPAC
- methyl 4-[[(5-ethoxy-5-oxopentyl)-[2-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]benzoate
Names & synonyms
SCHEMBL2988749PGWCJAARLWMGEQ-UHFFFAOYSA-Nmethyl 4-({(5-ethoxy-5-oxopentyl)[2-(5-fluoro-2-methoxy-phenyl)ethyl]amino}methyl)benzoateMethyl 4-({(5-ethoxy-5-oxopentyl)[2-(5-fluoro-2-methoxyphenyl)ethyl]-amino}methyl)benzoate
Database identifiers
- PubChem CID
- 22015037
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 552
Related reactions
3 records
Compound notes
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