Methyl 4-({(5-methoxy-5-oxopentyl)[2-(5-fluoro-2-hydroxyphenyl)ethyl]amino}methyl)benzoate
Basic information
- Standard SMILES
COC(=O)CCCCN(CCc1cc(F)ccc1O)Cc1ccc(C(=O)OC)cc1- InChIKey
GCWPQKBJXBSSON-UHFFFAOYSA-N- Molecular formula
- C23H28FNO5
- Average molar mass
- 417.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-({(5-methoxy-5-oxopentyl)[2-(5-fluoro-2-hydroxyphenyl)ethyl]amino}methyl)benzoate
- IUPAC
- methyl 4-[[2-(5-fluoro-2-hydroxyphenyl)ethyl-(5-methoxy-5-oxopentyl)amino]methyl]benzoate
Names & synonyms
SCHEMBL2989141GCWPQKBJXBSSON-UHFFFAOYSA-Nmethyl 4-({(5-methoxy-5-oxopentyl)[2-(5-fluoro-2-hydroxyphenyl)ethyl]amino}methyl)benzoateMethyl 4-({(5-methoxy-5-oxopentyl) [2-(5-fluoro-2-hydroxyphenyl)-ethyl]amino}methyl)benzoateMethyl 4-({(5-methoxy-5-oxopentyl)[2-(5-fluoro-2-hydroxyphenyl)-ethyl]amino}methyl)benzoate
Database identifiers
- PubChem CID
- 22015002
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 524
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
5 records
Compound notes
Loading…