Basic information
- Standard SMILES
COC(=O)c1ccc(NC(=O)c2cc(COCc3cc(C)on3)cc(OCc3ccccc3F)c2)nc1- InChIKey
QRSSHGWQKUVRBB-UHFFFAOYSA-N- Molecular formula
- C27H24FN3O6
- Average molar mass
- 505.5 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[3-(2-fluorobenzyloxy)-5-(5-methyl isoxazol-3-yl methoxy) methyl benzoyl]aminopyridine-5-carboxylate
- IUPAC
- methyl 6-[[3-[(2-fluorophenyl)methoxy]-5-[(5-methyl-1,2-oxazol-3-yl)methoxymethyl]benzoyl]amino]pyridine-3-carboxylate
Names & synonyms
SCHEMBL5421905QRSSHGWQKUVRBB-UHFFFAOYSA-Nmethyl 2-[3-(2-fluorobenzyloxy)-5-(5-methyl isoxazol-3-yl methoxy) methyl benzoyl]aminopyridine-5-carboxylate
Database identifiers
- PubChem CID
- 58780879
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 745
Related reactions
2 records
Compound notes
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