Basic information
- Standard SMILES
C[C@@H](c1nc2cccc(C#N)c2nc1-c1ccccc1S(C)(=O)=O)N1C(=O)c2ccccc2C1=O- InChIKey
XHVAAFPULIXTPO-HNNXBMFYSA-N- Molecular formula
- C26H18N4O4S
- Average molar mass
- 482.5 g/mol
Names & identifiers
- Preferred name
- 2-((S)-1-(1,3-dioxoisoindolin-2-yl)ethyl)-3-(2-(methylsulfonyl)phenyl)quinoxaline-5-carbonitrile
- IUPAC
- 2-[(1S)-1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-methylsulfonylphenyl)quinoxaline-5-carbonitrile
Names & synonyms
SCHEMBL15303279XHVAAFPULIXTPO-HNNXBMFYSA-N2-((S)-1-(1,3-dioxoisoindolin-2-yl)ethyl)-3-(2-(methylsulfonyl)phenyl)-quinoxaline-5-carbonitrile2-((S)-1-(1,3-dioxoisoindolin-2-yl)ethyl)-3-(2-(methylsulfonyl)phenyl)quinoxaline-5-carbonitrile
Database identifiers
- PubChem CID
- 86698517
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 977
Related reactions
4 records
Compound notes
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