Basic information
- CAS
138335-80-5- Standard SMILES
Cc1cnc([C@H](C)[C@@H](O)c2c(Br)nc(Br)n2C)cn1- InChIKey
YOCLEPODCSQUSM-OIBJUYFYSA-N- Molecular formula
- C12H14Br2N4O
- Average molar mass
- 390.07 g/mol
- Monoisotopic mass
- 387.95344
Names & identifiers
- Preferred name
- (1R,2S)-1-(2,5-dibromo-3-methylimidazol-4-yl)-2-(5-methylpyrazin-2-yl)propan-1-ol
- IUPAC
- (1R,2S)-1-(2,5-dibromo-3-methylimidazol-4-yl)-2-(5-methylpyrazin-2-yl)propan-1-ol
Names & synonyms
138335-80-5(1R,2S)-1-(2,5-dibromo-3-methylimidazol-4-yl)-2-(5-methylpyrazin-2-yl)propan-1-olDTXSID30930063(1R,2S)-1-(2,4-dibromo-1-methyl-1H-imidazol-5-yl)-2-(5-methylpyrazin-2-yl)propan-1-ol1-(2,4-Dibromo-1-methyl-1H-imidazol-5-yl)-2-(5-methylpyrazin-2-yl)propan-1-ol
Database identifiers
- CAS
138335-80-5- PubChem CID
- 178449
- DTXSID
DTXSID30930063
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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