Basic information
- Standard SMILES
COC(=O)[C@@H](C)Oc1ccc(CNC(=O)c2cccnc2Oc2cccc(C#N)c2)c(F)c1- InChIKey
FADDFOZMQHCONU-OAHLLOKOSA-N- Molecular formula
- C24H20FN3O5
- Average molar mass
- 449.4 g/mol
Names & identifiers
- Preferred name
- (R)-2-[3-Fluoro-4-({[2-(3-cyano-phenoxy)-pyridine-3-carbonyl]-amino}-methyl)-phenoxy]-propionic acid methyl ester
- IUPAC
- methyl (2R)-2-[4-[[[2-(3-cyanophenoxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]propanoate
Names & synonyms
SCHEMBL5388749FADDFOZMQHCONU-OAHLLOKOSA-N(R)-2-[3-Fluoro-4-({[2-(3-cyano-phenoxy)-pyridine-3-carbonyl]-amino}-methyl)-phenoxy]-propionic acid methyl ester
Database identifiers
- PubChem CID
- 60128044
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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