Basic information
- Standard SMILES
CCS(=O)(=O)c1ccc(Cc2c(OC(F)F)nc3c(F)ccc(OCC(=O)O)c3c2C)cc1- InChIKey
PPYYEIMTWMAVDD-UHFFFAOYSA-N- Molecular formula
- C22H20F3NO6S
- Average molar mass
- 483.5 g/mol
Names & identifiers
- Preferred name
- [2-difluoromethoxy-3-(4-ethanesulfonylbenzyl)-8-fluoro-4-methylquinolin-5-yloxy]acetic Acid
- IUPAC
- 2-[2-(difluoromethoxy)-3-[(4-ethylsulfonylphenyl)methyl]-8-fluoro-4-methylquinolin-5-yl]oxyacetic acid
Names & synonyms
[2-difluoromethoxy-3-(4-ethanesulfonylbenzyl)-8-fluoro-4-methylquinolin-5-yloxy]acetic AcidSCHEMBL3772037
Database identifiers
- PubChem CID
- 57742496
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 756
Related reactions
2 records
Compound notes
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