Basic information
- Standard SMILES
Cc1cc(COCc2cc(OCc3ccccc3F)cc(C(=O)Nc3ccc(C(=O)O)cn3)c2)no1- InChIKey
BWLPGPSKNPSHRG-UHFFFAOYSA-N- Molecular formula
- C26H22FN3O6
- Average molar mass
- 491.5 g/mol
- Monoisotopic mass
- 491.14926359
Names & identifiers
- Preferred name
- 2-[3-(2-Fluorobenzyloxy)-5-(5-methylisoxazol-3-ylmethoxymethyl)-benzoylamino]-5-pyridine carboxylic acid
- IUPAC
- 6-[[3-[(2-fluorophenyl)methoxy]-5-[(5-methyl-1,2-oxazol-3-yl)methoxymethyl]benzoyl]amino]pyridine-3-carboxylic acid
Names & synonyms
SCHEMBL5419201BWLPGPSKNPSHRG-UHFFFAOYSA-N2-[3-(2-fluorobenzyloxy)-5-(5-methylisoxazol-3-ylmethoxymethyl)-benzoylamino]-5-pyridine carboxylic acid
Database identifiers
- PubChem CID
- 21074207
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 730
Related reactions
2 records
Compound notes
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