Ethyl (3-bromo-4-((1-isoquinolinylcarbonyl)amino)phenyl)acetate
Basic information
- Standard SMILES
CCOC(=O)Cc1ccc(NC(=O)c2nccc3ccccc23)c(Br)c1- InChIKey
JNOFMJOSNAFABN-UHFFFAOYSA-N- Molecular formula
- C20H17BrN2O3
- Average molar mass
- 413.3 g/mol
Names & identifiers
- Preferred name
- Ethyl (3-bromo-4-((1-isoquinolinylcarbonyl)amino)phenyl)acetate
- IUPAC
- ethyl 2-[3-bromo-4-(isoquinoline-1-carbonylamino)phenyl]acetate
Names & synonyms
SCHEMBL14491714JNOFMJOSNAFABN-UHFFFAOYSA-Nethyl (3-bromo-4-((1-isoquinolinylcarbonyl)amino)phenyl)acetate
Database identifiers
- PubChem CID
- 58778618
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 501
Related reactions
4 records
Compound notes
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