Basic information
- Standard SMILES
O=C(O)c1ccc(Nc2nc(Br)cn3ccnc23)cc1- InChIKey
ZYQZBKLNUHGLEF-UHFFFAOYSA-N- Molecular formula
- C13H9BrN4O2
- Average molar mass
- 333.14 g/mol
Names & identifiers
- Preferred name
- 4-(6-Bromo-imidazo[1,2-a]pyrazin-8-ylamino)-benzoic Acid
- IUPAC
- 4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]benzoic acid
Names & synonyms
SCHEMBL1068037ZYQZBKLNUHGLEF-UHFFFAOYSA-N4-(6-Bromo-imidazo[1,2-a]pyrazin-8-ylamino)-benzoic Acid
Database identifiers
- PubChem CID
- 59754690
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
Related reactions
5 records
Compound notes
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