Basic information
- Standard SMILES
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c[nH]c(=O)c2ccc(Br)cc12- InChIKey
LWXWPKZEJXUTQS-CYBMUJFWSA-N- Molecular formula
- C20H26BrN3O3
- Average molar mass
- 436.3 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (3R)-4-[(6-bromo-1-oxo-1,2-dihydroisoquinolin-4-yl)methyl]-3-methylpiperazine-1-carboxylate
- IUPAC
- tert-butyl (3R)-4-[(6-bromo-1-oxo-2H-isoquinolin-4-yl)methyl]-3-methylpiperazine-1-carboxylate
Names & synonyms
LWXWPKZEJXUTQS-CYBMUJFWSA-Ntert-Butyl (3R)-4-[(6-bromo-1-oxo-1,2-dihydroisoquinolin-4-yl)methyl]-3-methylpiperazine-1-carboxylate
Database identifiers
- PubChem CID
- 86640971
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 616
Related reactions
1 records
Compound notes
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