Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)C(C#N)=Cc2ccc(OCc3ccccc3)cc2)cc1- InChIKey
QDDNMJHTSOYGGT-UHFFFAOYSA-N- Molecular formula
- C23H19NO3S
- Average molar mass
- 389.5 g/mol
Names & identifiers
- Preferred name
- 3-(4-Benzyloxy-phenyl)-2-(toluene-4-sulfonyl)-acrylonitrile
- IUPAC
- 2-(4-methylphenyl)sulfonyl-3-(4-phenylmethoxyphenyl)prop-2-enenitrile
Names & synonyms
SCHEMBL4375506QDDNMJHTSOYGGT-UHFFFAOYSA-N3-(4-benzyloxy-phenyl)-2-(toluene-4-sulfonyl)-acrylonitrile
Database identifiers
- PubChem CID
- 4192773
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 662
Related reactions
2 records
Compound notes
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