Basic information
- Standard SMILES
CCOC(=O)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1- InChIKey
CJSRONIWPGWSMH-UHFFFAOYSA-N- Molecular formula
- C21H23F2NO5S
- Average molar mass
- 439.5 g/mol
Names & identifiers
- Preferred name
- (2,4-Difluoro-phenoxy)-[4-(piperidine-1-sulfonyl)-phenyl]-acetic acid ethyl ester
- IUPAC
- ethyl 2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)acetate
Names & synonyms
SCHEMBL184449CJSRONIWPGWSMH-UHFFFAOYSA-N(2,4-difluoro-phenoxy)-[4-(piperidine-1-sulfonyl)-phenyl]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 59610054
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 657
Related reactions
4 records
Compound notes
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