Basic information
- Standard SMILES
CCCCC(Oc1ccc(CCC(=O)OCC)c(C)c1)c1cccc(Br)n1- InChIKey
QVDQIMXGWXGPDT-UHFFFAOYSA-N- Molecular formula
- C22H28BrNO3
- Average molar mass
- 434.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-[4-[1-(6-bromo-2-pyridinyl)pentoxy]-2-methylphenyl]propanoate
- IUPAC
- ethyl 3-[4-[1-(6-bromo-2-pyridinyl)pentoxy]-2-methylphenyl]propanoate
Names & synonyms
SCHEMBL14253548
Database identifiers
- PubChem CID
- 58629937
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 434
Related reactions
1 records
Compound notes
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