Basic information
- Standard SMILES
CCCCCCC#Cc1ccc(CN(Cc2ccc(Br)cc2)C(=O)C(=O)OCC)cc1- InChIKey
XKURFXPEPDFXJK-UHFFFAOYSA-N- Molecular formula
- C26H30BrNO3
- Average molar mass
- 484.4 g/mol
Names & identifiers
- Preferred name
- Ethyl[(4-bromobenzyl)(4-oct-1-ynylbenzyl)amino](oxo)acetate
- IUPAC
- ethyl 2-[(4-bromophenyl)methyl-[(4-oct-1-ynylphenyl)methyl]amino]-2-oxoacetate
Names & synonyms
SCHEMBL1852278XKURFXPEPDFXJK-UHFFFAOYSA-Nethyl[(4-bromobenzyl)(4-oct-1-ynylbenzyl)amino](oxo)acetate
Database identifiers
- PubChem CID
- 67186239
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 607
Related reactions
2 records
Compound notes
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