Basic information
- Standard SMILES
CCCS(=O)(=O)c1ccc(F)c(C#Cc2cc(Cl)cnc2OCC(=O)OC(C)(C)C)c1- InChIKey
YJEHVNZQAUIHMD-UHFFFAOYSA-N- Molecular formula
- C22H23ClFNO5S
- Average molar mass
- 467.9 g/mol
Names & identifiers
- Preferred name
- Tert-butyl[(5-chloro-3-{[2-fluoro-5-(propylsulfonyl)phenyl]ethynyl}pyridin-2-yl)oxy]acetate
- IUPAC
- tert-butyl 2-[[5-chloro-3-[2-(2-fluoro-5-propylsulfonylphenyl)ethynyl]-2-pyridinyl]oxy]acetate
Names & synonyms
SCHEMBL12146102YJEHVNZQAUIHMD-UHFFFAOYSA-Ntert-butyl[(5-chloro-3-{[2-fluoro-5-(propylsulfonyl)phenyl]ethynyl}pyridin-2-yl)oxy]acetate
Database identifiers
- PubChem CID
- 58521925
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 779
Related reactions
1 records
Compound notes
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