Basic information
- Standard SMILES
COC(=O)[C@H](C)Oc1ccc(F)cc1-c1ccc(S(=O)(=O)c2ccccc2)c(Cl)c1- InChIKey
FURGOGVNMQFUAJ-AWEZNQCLSA-N- Molecular formula
- C22H18ClFO5S
- Average molar mass
- 448.9 g/mol
Names & identifiers
- Preferred name
- methyl (2S)-2-{[3'-chloro-5-fluoro-4'-(phenylsulfonyl)biphenyl-2-yl]oxy}propanoate
- IUPAC
- methyl (2S)-2-[2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenoxy]propanoate
Names & synonyms
SCHEMBL1989827FURGOGVNMQFUAJ-AWEZNQCLSA-Nmethyl (2S)-2-{[3'-chloro-5-fluoro-4'-(phenylsulfonyl)biphenyl-2-yl]oxy}propanoate
Database identifiers
- PubChem CID
- 67239082
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 676
Related reactions
3 records
Compound notes
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