Basic information
- Standard SMILES
COc1ccc(COc2cn(-c3cccc(Br)c3)c(CO)cc2=O)cc1- InChIKey
ZZHQPTPEDVDNQQ-UHFFFAOYSA-N- Molecular formula
- C20H18BrNO4
- Average molar mass
- 416.3 g/mol
Names & identifiers
- Preferred name
- 1-(3-bromophenyl)-2-hydroxymethyl-5-(4-methoxy-benzyloxy)-1H-pyridin-4-one
- IUPAC
- 1-(3-bromophenyl)-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]pyridin-4-one
Names & synonyms
SCHEMBL2463639ZZHQPTPEDVDNQQ-UHFFFAOYSA-N1-(3-bromo-phenyl)-2-hydroxymethyl-5-(4-methoxy-benzyloxy)-1H-pyridin-4-one1-(3-bromophenyl)-2-hydroxymethyl-5-(4-methoxy-benzyloxy)-1H-pyridin-4-one
Database identifiers
- PubChem CID
- 67417962
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 554
Related reactions
3 records
Compound notes
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