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Basic information
- Standard SMILES
C/C(=N\[S@](=O)C(C)(C)C)c1ccc2ccc(Br)cc2n1- InChIKey
KPARNQQQSDEMLQ-ACEGTKJHSA-N- Molecular formula
- C15H17BrN2OS
- Average molar mass
- 353.3 g/mol
- Monoisotopic mass
- 352.0245
Names & identifiers
- Preferred name
- (NE,R)-N-[1-(7-bromoquinolin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
- IUPAC
- (NE,R)-N-[1-(7-bromoquinolin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
Database identifiers
- PubChem CID
- 89949697
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Related reactions
2 records
Compound notes
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