Basic information
- Standard SMILES
CC(NC(CS(C)(=O)=O)c1ccccc1)C(Cc1ccc(Cl)cc1)c1cccc(C#N)c1- InChIKey
VSXJBNIQTGDNBB-UHFFFAOYSA-N- Molecular formula
- C26H27ClN2O2S
- Average molar mass
- 467 g/mol
- Monoisotopic mass
- 466.148177
Names & identifiers
- IUPAC
- 3-[1-(4-chlorophenyl)-3-[(2-methylsulfonyl-1-phenylethyl)amino]butan-2-yl]benzonitrile
Database identifiers
- PubChem CID
- 72798677
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 714
Related reactions
1 records
Compound notes
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