Basic information
- CAS
138335-79-2- Standard SMILES
CSc1nc(Br)c(C(=O)C(C)c2cncc(C)n2)n1C- InChIKey
WWSOMJDDPFFION-UHFFFAOYSA-N- Molecular formula
- C13H15BrN4OS
- Average molar mass
- 355.26 g/mol
- Monoisotopic mass
- 354.01499
Names & identifiers
- Preferred name
- 1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-one
- IUPAC
- 1-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-one
Names & synonyms
138335-79-21-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-oneDTXSID709300621-[4-bromo-1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]-2-(6-methylpyrazin-2-yl)propan-1-one
Database identifiers
- CAS
138335-79-2- PubChem CID
- 178448
- DTXSID
DTXSID70930062
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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