Basic information
- Standard SMILES
Cc1c(CCC(=O)O)ccc(OCc2cccnc2SC2CCCC2)c1C- InChIKey
DONKKWWTDKFSQZ-UHFFFAOYSA-N- Molecular formula
- C22H27NO3S
- Average molar mass
- 385.5 g/mol
Names & identifiers
- Preferred name
- 3-[4-(2-Cyclopentylsulfanyl-pyridin-3-ylmethoxy)-2,3-dimethyl-phenyl]-propionic acid
- IUPAC
- 3-[4-[(2-cyclopentylsulfanyl-3-pyridinyl)methoxy]-2,3-dimethylphenyl]propanoic acid
Names & synonyms
SCHEMBL15668758DONKKWWTDKFSQZ-UHFFFAOYSA-N3-[4-(2-cyclopentylsulfanyl-pyridin-3-ylmethoxy)-2,3-dimethyl-phenyl]-propionic acid
Database identifiers
- PubChem CID
- 74222792
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 468
Related reactions
1 records
Compound notes
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