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Basic information
- Standard SMILES
CC(C)(F)[C@H](c1cc(F)cc(-c2nnco2)c1)C1CN([C@@H](c2ccc(Cl)cc2)c2cccc(C#N)c2)C1- InChIKey
YIWXLKUUFYYKRL-SXOMAYOGSA-N- Molecular formula
- C29H25ClF2N4O
- Average molar mass
- 519 g/mol
Names & identifiers
- Preferred name
- 3-[(S)-(4-chlorophenyl)(3-{(1S)-2-fluoro-1-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropyl}azetidin-1-yl)methyl]benzonitrile
- IUPAC
- 3-[(S)-(4-chlorophenyl)-[3-[(1S)-2-fluoro-1-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropyl]azetidin-1-yl]methyl]benzonitrile
Names & synonyms
SCHEMBL502243YIWXLKUUFYYKRL-SXOMAYOGSA-N3-[(S)-(4-chlorophenyl)(3-{(1S)-2-fluoro-1-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropyl}azetidin-1-yl)methyl]benzonitrile
Database identifiers
- PubChem CID
- 66705652
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 809
Related reactions
1 records
Compound notes
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