Basic information
- Standard SMILES
O=S(=O)(c1ccccc1)C1(Br)CNc2nccnc21- InChIKey
YCRBYNCVLLLLOI-UHFFFAOYSA-N- Molecular formula
- C12H10BrN3O2S
- Average molar mass
- 340.2 g/mol
Names & identifiers
- Preferred name
- 7-bromo-7-(phenylsulfonyl)-5H-pyrrolo[3,2-b]pyrazine
- IUPAC
- 7-(benzenesulfonyl)-7-bromo-5,6-dihydropyrrolo[2,3-b]pyrazine
Names & synonyms
SCHEMBL2530574YCRBYNCVLLLLOI-UHFFFAOYSA-N7-bromo-7-(phenylsulfonyl)-5H-pyrrolo[3,2-b]pyrazine
Database identifiers
- PubChem CID
- 67440893
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 433
Related reactions
1 records
Compound notes
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