Basic information
- Standard SMILES
CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1- InChIKey
NOLFLBFMEJTECS-UHFFFAOYSA-N- Molecular formula
- C26H22ClNO4S
- Average molar mass
- 480 g/mol
Names & identifiers
- Preferred name
- 6-chloro-2-(4-methanesulfonylbenzyl)-4-phenyl-3-propionyl-2H-isoquinolin-1-one
- IUPAC
- 6-chloro-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-3-propanoylisoquinolin-1-one
Names & synonyms
CHEMBL259555SCHEMBL4712407NOLFLBFMEJTECS-UHFFFAOYSA-NBDBM503761216-chloro-2-(4-methanesulfonylbenzyl)-4-phenyl-3-propionyl-2H-isoquinolin-1-one
Database identifiers
- PubChem CID
- 44451693
- ChEMBL
CHEMBL259555
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 878
Related reactions
1 records
Compound notes
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