Basic information
- CAS
138335-86-1- Standard SMILES
CSc1nc(Br)c([C@H](O)[C@@H](C)c2cncc(C)n2)n1C- InChIKey
MFYRLEAIRLKQPQ-GZMMTYOYSA-N- Molecular formula
- C13H17BrN4OS
- Average molar mass
- 357.27 g/mol
- Monoisotopic mass
- 356.03064
Names & identifiers
- Preferred name
- (1R,2S)-1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol
- IUPAC
- (1R,2S)-1-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol
Names & synonyms
(1R,2S)-1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol138335-86-1DTXSID60160593(1R,2S)-1-[4-Bromo-1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]-2-(6-methylpyrazin-2-yl)propan-1-ol
Database identifiers
- CAS
138335-86-1- PubChem CID
- 178455
- DTXSID
DTXSID60160593
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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