Basic information
- CAS
138335-71-4- Standard SMILES
CSc1nc(Br)c(C(=O)Cc2cncc(C)n2)n1C- InChIKey
ASWOSNCHJFSMKL-UHFFFAOYSA-N- Molecular formula
- C12H13BrN4OS
- Average molar mass
- 341.23 g/mol
- Monoisotopic mass
- 339.99934
Names & identifiers
- Preferred name
- Ethanone, 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)-
- IUPAC
- 1-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)-2-(6-methylpyrazin-2-yl)ethanone
Names & synonyms
Ethanone, 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)-138335-71-4DTXSID701605891-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)ethanone1-[4-Bromo-1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]-2-(6-methylpyrazin-2-yl)ethan-1-one
Database identifiers
- CAS
138335-71-4- PubChem CID
- 178442
- DTXSID
DTXSID70160589
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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