N-[4-[(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)methyl]phenyl]acetamide
Basic information
- CAS
18364-66-4- Standard SMILES
CC(=O)Nc1ccc(Cc2[nH]c(=O)[nH]c(=O)c2Br)cc1- InChIKey
NUWVSWOKBBUPTE-UHFFFAOYSA-N- Molecular formula
- C13H12BrN3O3
- Average molar mass
- 338.16 g/mol
- Monoisotopic mass
- 337.0062
Names & identifiers
- Preferred name
- N-[4-[(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)methyl]phenyl]acetamide
- IUPAC
- N-[4-[(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)methyl]phenyl]acetamide
Names & synonyms
NSC21110718364-66-4DTXSID90309094NSC-211107N-{4-[(5-Bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]phenyl}acetamide
Database identifiers
- CAS
18364-66-4- PubChem CID
- 308973
- DTXSID
DTXSID90309094
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 467
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Compound notes
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