1-{2-[4-(3-Phenyl-1,4-benzoxathiin-2-yl)phenoxy]ethyl}piperidine
Basic information
- Standard SMILES
c1ccc(C2=C(c3ccc(OCCN4CCCCC4)cc3)Oc3ccccc3S2)cc1- InChIKey
BFGSQRYBLUAHCJ-UHFFFAOYSA-N- Molecular formula
- C27H27NO2S
- Average molar mass
- 429.6 g/mol
Names & identifiers
- Preferred name
- 1-{2-[4-(3-Phenyl-1,4-benzoxathiin-2-yl)phenoxy]ethyl}piperidine
- IUPAC
- 1-[2-[4-(3-phenyl-1,4-benzoxathiin-2-yl)phenoxy]ethyl]piperidine
Names & synonyms
SCHEMBL2100149BFGSQRYBLUAHCJ-UHFFFAOYSA-N1-{2-[4-(3-phenyl-1,4-benzoxathiin-2-yl)phenoxy]ethyl}piperidine
Database identifiers
- PubChem CID
- 59396759
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 588
Related reactions
2 records
Compound notes
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