Basic information
- Standard SMILES
CCc1nc2c(F)ccc(OCC(=O)O)c2c(OC(F)F)c1Cc1ccc(S(=O)(=O)CC)cc1- InChIKey
PEGCKGWHXMXFON-UHFFFAOYSA-N- Molecular formula
- C23H22F3NO6S
- Average molar mass
- 497.5 g/mol
Names & identifiers
- Preferred name
- [4-difluoromethoxy-3-(4-ethanesulfonylbenzyl)-2-ethyl-8-fluoroquinolin-5-yloxy]acetic Acid
- IUPAC
- 2-[4-(difluoromethoxy)-2-ethyl-3-[(4-ethylsulfonylphenyl)methyl]-8-fluoroquinolin-5-yl]oxyacetic acid
Names & synonyms
[4-difluoromethoxy-3-(4-ethanesulfonylbenzyl)-2-ethyl-8-fluoroquinolin-5-yloxy]acetic AcidSCHEMBL3778352
Database identifiers
- PubChem CID
- 57742494
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 771
Related reactions
2 records
Compound notes
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