6-bromo-2-(4-methoxycarbonylbenzyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester
Basic information
- Standard SMILES
COC(=O)c1ccc(Cn2c(C(=O)OC)c(-c3ccccc3)c3cc(Br)ccc3c2=O)cc1- InChIKey
XDGGUKJAPTZLOW-UHFFFAOYSA-N- Molecular formula
- C26H20BrNO5
- Average molar mass
- 506.3 g/mol
- Monoisotopic mass
- 505.05249
Names & identifiers
- Preferred name
- 6-bromo-2-(4-methoxycarbonylbenzyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester
- IUPAC
- methyl 6-bromo-2-[(4-methoxycarbonylphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylate
Names & synonyms
CHEMBL259916SCHEMBL4713980XDGGUKJAPTZLOW-UHFFFAOYSA-NBDBM503732056-bromo-2-(4-methoxycarbonylbenzyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester
Database identifiers
- PubChem CID
- 44451635
- ChEMBL
CHEMBL259916
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 782
Related reactions
3 records
Compound notes
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