Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(-c2cnc(Br)c(C(=O)Nc3ccccc3)n2)cc1- InChIKey
YYMDUTKOVUZDMU-UHFFFAOYSA-N- Molecular formula
- C18H14BrN3O3S
- Average molar mass
- 432.3 g/mol
Names & identifiers
- Preferred name
- 3-bromo-6-(4-methylsulfonylphenyl)-N-phenyl-pyrazine-2-carboxamide
- IUPAC
- 3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
Names & synonyms
SCHEMBL2637969YYMDUTKOVUZDMU-UHFFFAOYSA-N3-Bromo-6-(4-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide3-bromo-6-(4-methylsulfonylphenyl)-N-phenyl-pyrazine-2-carboxamide
Database identifiers
- PubChem CID
- 86665147
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 581
Related reactions
2 records
Compound notes
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