Basic information
- Standard SMILES
C[C@@H](Oc1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc3c(c2)OCO3)c(F)c1)C(=O)O- InChIKey
KUPLSOFMMMPSBY-GFCCVEGCSA-N- Molecular formula
- C23H18F2N2O7
- Average molar mass
- 472.4 g/mol
Names & identifiers
- Preferred name
- (R)-2-[4-({[2-(Benzo[1,3]dioxol-5-yloxy)-5-fluoro-pyridine-3-carbonyl]-amino}-methyl)-3-fluoro-phenoxy]-propionic acid
- IUPAC
- (2R)-2-[4-[[[2-(1,3-benzodioxol-5-yloxy)-5-fluoropyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]propanoic acid
Names & synonyms
SCHEMBL5389039KUPLSOFMMMPSBY-GFCCVEGCSA-N(R)-2-[4-({[2-(Benzo[1,3]dioxol-5-yloxy)-5-fluoro-pyridine-3-carbonyl]-amino}-methyl )-3-fluoro-phenoxy]-propionic acid(R)-2-[4-({[2-(Benzo[1,3]dioxol-5-yloxy)-5-fluoro-pyridine-3-carbonyl]-amino}-methyl)-3-flouro-phenoxy]-propionic acid(R)-2-[4-({[2-(benzo[1,3]dioxol-5-yloxy)-5-fluoro-pyridine-3-carbonyl]-amino}-methyl)-3-fluoro-phenoxy]-propionic acid
Database identifiers
- PubChem CID
- 21090488
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 717
Related reactions
2 records
Compound notes
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