Basic information
- Standard SMILES
COC(=O)[C@H](C)Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1- InChIKey
HZICNJQQARYYOY-AWEZNQCLSA-N- Molecular formula
- C24H21FN2O7
- Average molar mass
- 468.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-[4-({[2-(benzo[1,3]dioxol-5-yloxy)-pyridine-3-carbonyl]-amino}-methyl)-3-fluoro-phenoxy]-propionic acid methyl ester
- IUPAC
- methyl (2S)-2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]propanoate
Names & synonyms
SCHEMBL5384719HZICNJQQARYYOY-AWEZNQCLSA-N(S)-2-[4-({[2-(benzo[1,3]dioxol-5-yloxy)-pyridine-3-carbonyl]-amino}-methyl)-3-fluoro-phenoxy]-propionic acid methyl ester
Database identifiers
- PubChem CID
- 60128048
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 698
Related reactions
1 records
Compound notes
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