Basic information
- Standard SMILES
C[C@@H](Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3nsnc3c2)c(F)c1)C(=O)O- InChIKey
KFYTWHMBRLBKNQ-GFCCVEGCSA-N- Molecular formula
- C22H17FN4O5S
- Average molar mass
- 468.5 g/mol
Names & identifiers
- Preferred name
- (R)-2-[4-({[2-(Benzo[2,1,3]thiadiazol-5-yloxy)-pyridine-3-carbonyl]-amino}-methyl)-3-fluoro-phenoxy]-propionic acid
- IUPAC
- (2R)-2-[4-[[[2-(2,1,3-benzothiadiazol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]propanoic acid
Names & synonyms
SCHEMBL5391868KFYTWHMBRLBKNQ-GFCCVEGCSA-N(R)-2-[4-({[2-(Benzo[2,1,3]thiadiazol-5-yloxy)-pyridine-3-carbonyl]-amino}-methyl)-3-fluoro-phenoxy]-propionic acid
Database identifiers
- PubChem CID
- 23529319
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 691
Related reactions
2 records
Compound notes
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