Basic information
- Standard SMILES
CCCCC(c1ccc(Cl)cc1)N1CC(=C(c2cc(F)cc(F)c2)C(C)(C)O)C1- InChIKey
XARIKKVJVOWHFL-UHFFFAOYSA-N- Molecular formula
- C24H28ClF2NO
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.1827485
Names & identifiers
- Preferred name
- 1{-1-[1-(4-Chlorophenyl)pentyl]azetidin-3-ylidene}-1-(3,5-difluorophenyl)-2-methylpropan-2-ol
- IUPAC
- 1-[1-[1-(4-chlorophenyl)pentyl]azetidin-3-ylidene]-1-(3,5-difluorophenyl)-2-methylpropan-2-ol
Names & synonyms
SCHEMBL1528909XARIKKVJVOWHFL-UHFFFAOYSA-N1{-1-[1-(4-chlorophenyl)pentyl]azetidin-3-ylidene}-1-(3,5-difluorophenyl)-2-methylpropan-2-ol1{-1-[1-(4-chlorophenyl)pentyl]azetidin-3-ylidene}-1-(3,5-difluorophenyl)-2methylpropan-2-ol
Database identifiers
- PubChem CID
- 11270095
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 555
Related reactions
1 records
Compound notes
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