Basic information
- Standard SMILES
O=C(O)C1CC1Cc1cc(F)c(OCc2cccc(SC3CCC3)n2)c(F)c1- InChIKey
DIDBGADHHFTINA-UHFFFAOYSA-N- Molecular formula
- C21H21F2NO3S
- Average molar mass
- 405.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-(6-Cyclobutylsulfanyl-pyridin-2-ylmethoxy)-3,5-difluoro-benzyl]-cyclopropane carboxylic acid
- IUPAC
- 2-[[4-[(6-cyclobutylsulfanyl-2-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid
Names & synonyms
SCHEMBL15668880DIDBGADHHFTINA-UHFFFAOYSA-N2-[4-(6-cyclobutylsulfanyl-pyridin-2-ylmethoxy)-3,5-difluoro-benzyl]-cyclopropane carboxylic acid
Database identifiers
- PubChem CID
- 90118166
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 538
Related reactions
1 records
Compound notes
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