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Basic information
- Standard SMILES
CCOC(=O)C=C(Nc1ccc(Br)c(OC)c1)c1ccccc1- InChIKey
BJLIJKJFLMIPRL-UHFFFAOYSA-N- Molecular formula
- C18H18BrNO3
- Average molar mass
- 376.2 g/mol
- Monoisotopic mass
- 375.04701
Names & identifiers
- Preferred name
- Ethyl 3-[(4-bromo-3-methoxyphenyl)amino]-3-phenylacrylate
- IUPAC
- ethyl 3-(4-bromo-3-methoxyanilino)-3-phenylprop-2-enoate
Names & synonyms
SCHEMBL1070870BJLIJKJFLMIPRL-UHFFFAOYSA-NEthyl 3-[(4-bromo-3-methoxyphenyl)amino]-3-phenylacrylate
Database identifiers
- PubChem CID
- 58005168
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
6 records
Compound notes
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