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
- Formal charge
- 0
- Complexity
- 649
Related reactions
10 records
Compound notes
Loading…