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Basic information
- Standard SMILES
CC1(C)C(=O)NC(=O)c2c1cc(Br)c(N)c2N- InChIKey
RLFPHOLVEMOEHN-UHFFFAOYSA-N- Molecular formula
- C11H12BrN3O2
- Average molar mass
- 298.14 g/mol
Names & identifiers
- Preferred name
- 7,8-Diamino-6-bromo-4,4-dimethylisoquinoline-1,3(2H,4H)-dione
- IUPAC
- 7,8-diamino-6-bromo-4,4-dimethylisoquinoline-1,3-dione
Names & synonyms
SCHEMBL4694260RLFPHOLVEMOEHN-UHFFFAOYSA-N7,8-Diamino-6-bromo-4,4-dimethylisoquinoline-1,3(2H,4H)-dione
Database identifiers
- PubChem CID
- 59645490
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 372
Related reactions
3 records
Compound notes
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