Basic information
- Standard SMILES
CCCCC(=O)C(Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1F)C(C#N)=NOC- InChIKey
PCGYQPWGEUCPED-UHFFFAOYSA-N- Molecular formula
- C26H32FN3O4S
- Average molar mass
- 501.6 g/mol
Names & identifiers
- Preferred name
- 3-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2-methoxyimino-4-oxooctanenitrile
- IUPAC
- 2-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-N-methoxy-3-oxoheptanimidoyl cyanide
Names & synonyms
SCHEMBL9592769PCGYQPWGEUCPED-UHFFFAOYSA-N3-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2-methoxyimino-4-oxooctanenitrile
Database identifiers
- PubChem CID
- 54181722
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 884
Related reactions
2 records
Compound notes
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