Basic information
- Standard SMILES
CC(C)n1nc(Br)c2ccc(S)cc2c1=O- InChIKey
LXNIGVJYDKZGKO-UHFFFAOYSA-N- Molecular formula
- C11H11BrN2OS
- Average molar mass
- 299.19 g/mol
Names & identifiers
- Preferred name
- 7-Mercapto-2-isopropyl-4-bromo-2H-phthalazin-1-one
- IUPAC
- 4-bromo-2-propan-2-yl-7-sulfanylphthalazin-1-one
Names & synonyms
SCHEMBL4064749LXNIGVJYDKZGKO-UHFFFAOYSA-N7-mercap-to-2-isopropyl-4-bromo-2H-phthalazin-1-one7-Mercapto-2-isopropyl-4-bromo-2H-phthalazin-1-one
Database identifiers
- PubChem CID
- 136372998
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 332
Related reactions
8 records
Compound notes
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