Basic information
- Standard SMILES
COC(=O)c1ccc(/C=C/C(=O)c2cccnc2Nc2ccccc2)c(OC)c1- InChIKey
ZGJQBVWFVZLDRY-OUKQBFOZSA-N- Molecular formula
- C23H20N2O4
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.14230712
Names & identifiers
- Preferred name
- 3-methoxy-4-[(E)-3-oxo-3-(2-phenylamino-pyridin-3-yl)-propenyl]-benzoic acid methyl ester
- IUPAC
- methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate
Names & synonyms
SCHEMBL12983372ZGJQBVWFVZLDRY-OUKQBFOZSA-NDB-1879243-methoxy-4-[(E)-3-oxo-3-(2-phenylamino-pyridin-3-yl)-propenyl]-benzoic acid methyl esterMethyl 3-methoxy-4-((e)-3-oxo-3-(2-(phenylamino)pyridin-3-yl)prop-1-enyl)benzoate1402345-15-6
Database identifiers
- PubChem CID
- 86672053
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 573
Related reactions
2 records
Compound notes
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