Basic information
- Standard SMILES
Cc1nc2c(Cl)ccc(OCC(=O)O)c2c(C)c1Cc1ccc(S(C)(=O)=O)cc1Cl- InChIKey
JQFWHHJRKYGHHS-UHFFFAOYSA-N- Molecular formula
- C21H19Cl2NO5S
- Average molar mass
- 468.3 g/mol
Names & identifiers
- Preferred name
- [8-chloro-3-(2-chloro-4-methanesulfonylbenzyl)-2,4-dimethylquinolin-5-yloxy]acetic Acid
- IUPAC
- 2-[8-chloro-3-[(2-chloro-4-methylsulfonylphenyl)methyl]-2,4-dimethylquinolin-5-yl]oxyacetic acid
Names & synonyms
SCHEMBL3771033JQFWHHJRKYGHHS-UHFFFAOYSA-N[8-chloro-3-(2-chloro-4-methanesulfonylbenzyl)-2,4-dimethylquinolin-5-yloxy]acetic Acid
Database identifiers
- PubChem CID
- 57742499
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 715
Related reactions
2 records
Compound notes
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