Basic information
- Standard SMILES
CCS(=O)(=O)c1ccc(Oc2c(F)c(CC(=O)OC)cc3ccc(F)cc23)nc1- InChIKey
CKWDJFSLOQSIQR-UHFFFAOYSA-N- Molecular formula
- C20H17F2NO5S
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 421.07955014
Names & identifiers
- Preferred name
- [4-(5-Ethanesulfonyl-pyridin-2-yloxy)-3,6-difluoro-naphthalen-2-yl]-acetic acid methyl ester
- IUPAC
- methyl 2-[4-[(5-ethylsulfonyl-2-pyridinyl)oxy]-3,6-difluoronaphthalen-2-yl]acetate
Names & synonyms
SCHEMBL2171741CKWDJFSLOQSIQR-UHFFFAOYSA-N[4-(5-ethanesulfonyl-pyridin-2-yloxy)-3,6-difluoro-naphthalen-2-yl]-acetic acid methyl ester
Database identifiers
- PubChem CID
- 59326477
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 670
Related reactions
1 records
Compound notes
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