Basic information
- Standard SMILES
CC(C)N(CCn1ncc2cc(Br)ccc2c1=O)C(C)C- InChIKey
XEEGHMXWNCNHAV-UHFFFAOYSA-N- Molecular formula
- C16H22BrN3O
- Average molar mass
- 352.27 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-2-[2-(diisopropylamino)ethyl]phthalazin-1(2H)-one
- IUPAC
- 6-bromo-2-[2-[di(propan-2-yl)amino]ethyl]phthalazin-1-one
Names & synonyms
SCHEMBL10585043XEEGHMXWNCNHAV-UHFFFAOYSA-N6-Bromo-2-[2-(diisopropylamino)ethyl]phthalazin-1(2H)-one
Database identifiers
- PubChem CID
- 21293334
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Related reactions
3 records
Compound notes
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