2-benzyl-6-bromo-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester

HCID 44451690

Basic information

Standard SMILES
COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccccc1
InChIKey
AMNOMUYOEKCNPJ-UHFFFAOYSA-N
Molecular formula
C24H18BrNO3
Average molar mass
448.3 g/mol
Monoisotopic mass
447.04701

Names & identifiers

Preferred name
2-benzyl-6-bromo-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester
IUPAC
methyl 2-benzyl-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylate

Names & synonyms

CHEMBL258676SCHEMBL4713225AMNOMUYOEKCNPJ-UHFFFAOYSA-NBDBM503732122-benzyl-6-bromo-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester

Database identifiers

PubChem CID
44451690
ChEMBL
CHEMBL258676

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
29

Related reactions

10 records

Compound notes

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