Basic information
- Standard SMILES
Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(CCl)cn1- InChIKey
YYWRKEQKRIJDBF-UHFFFAOYSA-N- Molecular formula
- C19H15BrClF2N3O2
- Average molar mass
- 470.7 g/mol
Names & identifiers
- Preferred name
- 1-{[5-(Chloromethyl)pyrazin-2-yl]methyl}-3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
- IUPAC
- 3-bromo-1-[[5-(chloromethyl)pyrazin-2-yl]methyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
Names & synonyms
SCHEMBL4383492YYWRKEQKRIJDBF-UHFFFAOYSA-N1-{[5-(Chloromethyl)pyrazin-2-yl]methyl}-3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one3-Bromo-1-{[5-(chloromethyl)pyrazin-2-yl]methyl}-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
Database identifiers
- PubChem CID
- 22051169
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 649
Related reactions
3 records
Compound notes
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