Basic information
- Standard SMILES
C=CCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c(OCc2ccccc2)c1C(=O)OC- InChIKey
MTXHIAZCPOIXIR-UHFFFAOYSA-N- Molecular formula
- C25H23FN2O5
- Average molar mass
- 450.5 g/mol
Names & identifiers
- Preferred name
- 1-Allyl-3-benzyloxy-5-(4-fluoro-benzylcarbamoyl)-4-oxo-1,4-dihydro-pyridine-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate
Names & synonyms
SCHEMBL82448MTXHIAZCPOIXIR-UHFFFAOYSA-N1-allyl-3-benzyloxy-5-(4-fluoro-benzylcarbamoyl) 4-oxo-1,4-dihydro-pyridine-2-carboxylic acid methyl ester1-allyl-3-benzyloxy-5-(4-fluoro-benzylcarbamoyl)-4-oxo-1,4-dihydro-pyridine-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 59600592
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 808
Related reactions
11 records
Compound notes
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