Basic information
- Standard SMILES
CC(Cc1ccc(OCc2cccnc2SC2CCCC2)cc1)C(=O)O- InChIKey
NXLQAUDWACMYDP-UHFFFAOYSA-N- Molecular formula
- C21H25NO3S
- Average molar mass
- 371.5 g/mol
Names & identifiers
- Preferred name
- 3-[4-(2-Cyclopentylsulfanyl-pyridin-3-ylmethoxy)-phenyl]-2-methyl-propionic acid
- IUPAC
- 3-[4-[(2-cyclopentylsulfanyl-3-pyridinyl)methoxy]phenyl]-2-methylpropanoic acid
Names & synonyms
SCHEMBL15669231NXLQAUDWACMYDP-UHFFFAOYSA-N3-[4-(2-cyclopentylsulfanyl-pyridin-3-ylmethoxy)-phenyl]-2-methyl-propionic acid
Database identifiers
- PubChem CID
- 74222202
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 433
Related reactions
1 records
Compound notes
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