Basic information
- Standard SMILES
CC(Cc1cc(F)c(OCc2cccnc2SC2CCC2)c(F)c1)C(=O)O- InChIKey
XJMJZRHHJLFCHD-UHFFFAOYSA-N- Molecular formula
- C20H21F2NO3S
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- 3-[4-(2-Cyclobutylsulfanyl-pyridin-3-ylmethoxy)-3,5-difluoro-phenyl]-2-methyl-propionic acid
- IUPAC
- 3-[4-[(2-cyclobutylsulfanyl-3-pyridinyl)methoxy]-3,5-difluorophenyl]-2-methylpropanoic acid
Names & synonyms
SCHEMBL15669196XJMJZRHHJLFCHD-UHFFFAOYSA-N3-[4-(2-cyclobutylsulfanyl-pyridin-3-ylmethoxy)-3,5-difluoro-phenyl]-2-methyl-propionic acid
Database identifiers
- PubChem CID
- 90118397
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 482
Related reactions
1 records
Compound notes
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