benzyl 2-(6-bromomethyl-2,3-dihydro-4-oxo-5-phenyl-4H-1,3-oxazin-3-yl)-2-methylpropanoate
Basic information
- Standard SMILES
CC(C)(C(=O)OCc1ccccc1)N1COC(CBr)=C(c2ccccc2)C1=O- InChIKey
PWKSZLCJQHYZGS-UHFFFAOYSA-N- Molecular formula
- C22H22BrNO4
- Average molar mass
- 444.3 g/mol
- Monoisotopic mass
- 443.07322
Names & identifiers
- Preferred name
- benzyl 2-(6-bromomethyl-2,3-dihydro-4-oxo-5-phenyl-4H-1,3-oxazin-3-yl)-2-methylpropanoate
- IUPAC
- benzyl 2-[6-(bromomethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate
Names & synonyms
SCHEMBL8008084PWKSZLCJQHYZGS-UHFFFAOYSA-Nbenzyl 2-(6-bromomethyl-2,3-dihydro-4-oxo-5-phenyl-4H-1,3-oxazin-3-yl)-2-methylpropanoate
Database identifiers
- PubChem CID
- 19354577
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 604
Related reactions
2 records
Compound notes
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