Basic information
- Standard SMILES
O=C(O)CCc1ccc(OCc2cccc(SC3CCC3)n2)c(Cl)c1- InChIKey
ZXQKDSFSTVUFSW-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO3S
- Average molar mass
- 377.9 g/mol
Names & identifiers
- Preferred name
- 3-[3-Chloro-4-(6-cyclobutylsulfanyl-pyridin-2-ylmethoxy)-phenyl]-propionic acid
- IUPAC
- 3-[3-chloro-4-[(6-cyclobutylsulfanyl-2-pyridinyl)methoxy]phenyl]propanoic acid
Names & synonyms
SCHEMBL15669325ZXQKDSFSTVUFSW-UHFFFAOYSA-N3-[3-chloro-4-(6-cyclobutylsulfanyl-pyridin-2-ylmethoxy)-phenyl]-propionic acid
Database identifiers
- PubChem CID
- 90118501
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 435
Related reactions
1 records
Compound notes
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