Basic information
- Standard SMILES
CCOC(=O)CCc1ccc(Oc2ccc(Br)cn2)c(OC)c1- InChIKey
LSDNCLDYBOYLLY-UHFFFAOYSA-N- Molecular formula
- C17H18BrNO4
- Average molar mass
- 380.2 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-[4-(5-bromopyridin-2-yloxy)-3-methoxyphenyl]propionate
- IUPAC
- ethyl 3-[4-[(5-bromo-2-pyridinyl)oxy]-3-methoxyphenyl]propanoate
Names & synonyms
SCHEMBL3138732LSDNCLDYBOYLLY-UHFFFAOYSA-Nethyl 3-[4-(5-bromopyridin-2-yloxy)-3-methoxyphenyl]propionate
Database identifiers
- PubChem CID
- 68525811
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 369
Related reactions
3 records
Compound notes
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