Basic information
- Standard SMILES
O=C(O)C1CC1c1ccc(OCc2cccnc2SC2CCCC2)c(F)c1- InChIKey
XZWWDMRLSAAMRG-UHFFFAOYSA-N- Molecular formula
- C21H22FNO3S
- Average molar mass
- 387.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-(2-Cyclopentylsulfanyl-pyridin-3-ylmethoxy)-3-fluoro-phenyl]-cyclopropane carboxylic acid
- IUPAC
- 2-[4-[(2-cyclopentylsulfanyl-3-pyridinyl)methoxy]-3-fluorophenyl]cyclopropane-1-carboxylic acid
Names & synonyms
SCHEMBL15669016XZWWDMRLSAAMRG-UHFFFAOYSA-N2-[4-(2-cyclopentylsulfanyl-pyridin-3-ylmethoxy)-3-fluoro-phenyl]-cyclopropane carboxylic acid
Database identifiers
- PubChem CID
- 74222883
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 516
Related reactions
2 records
Compound notes
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