Basic information
- Standard SMILES
CC(=O)SC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C/C1=C\c1ccccc1- InChIKey
WXLJMZDTUIMHFD-ZZIIXHQDSA-N- Molecular formula
- C33H31NOS
- Average molar mass
- 489.7 g/mol
Names & identifiers
- Preferred name
- (E)-4-(acetylsulfanyl)-3-benzylidene-1-(triphenylmethyl)piperidine
- IUPAC
- S-[(3E)-3-benzylidene-1-tritylpiperidin-4-yl] ethanethioate
Names & synonyms
SCHEMBL3744240WXLJMZDTUIMHFD-ZZIIXHQDSA-N(E)-4-(acetylsulfanyl)-3-benzylidene-1-(triphenylmethyl)piperidine
Database identifiers
- PubChem CID
- 86609403
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 676
Related reactions
1 records
Compound notes
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