Basic information
- Standard SMILES
CCS(=O)(=O)c1ccc(Cc2c(C)c3c(OCC(=O)OC)ccc(F)c3[nH]c2=O)cc1- InChIKey
LOIUPTPKGWPYRL-UHFFFAOYSA-N- Molecular formula
- C22H22FNO6S
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- [3-(4-Ethanesulfonylbenzyl)-8-fluoro-4-methyl-2-oxo-1,2-dihydroquinolin-5-yloxy]acetic acid methyl ester
- IUPAC
- methyl 2-[[3-[(4-ethylsulfonylphenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate
Names & synonyms
SCHEMBL3770710LOIUPTPKGWPYRL-UHFFFAOYSA-N[3-(4-ethanesulfonylbenzyl)-8-fluoro-4-methyl-2-oxo-1,2-dihydroquinolin-5-yloxy]acetic acid methyl ester
Database identifiers
- PubChem CID
- 68779494
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 812
Related reactions
2 records
Compound notes
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