Basic information
- Standard SMILES
COC(=O)C(N)Cc1ccc(-c2cc(Br)cn(C)c2=O)cc1- InChIKey
JOKANUREZMJPER-UHFFFAOYSA-N- Molecular formula
- C16H17BrN2O3
- Average molar mass
- 365.22 g/mol
Names & identifiers
- Preferred name
- Methyl 2-amino-3-[4-(5-bromo-1-methyl-2-oxo-3-pyridinyl)phenyl]propanoate
- IUPAC
- methyl 2-amino-3-[4-(5-bromo-1-methyl-2-oxo-3-pyridinyl)phenyl]propanoate
Database identifiers
- PubChem CID
- 22382015
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 508
Related reactions
2 records
Compound notes
Loading…