Basic information
- CAS
50441-27-5- Standard SMILES
CCC1(c2ccccc2)C(=O)N(C)C(=O)N(CBr)C1=O- InChIKey
GJFXVNXVEUNHNY-UHFFFAOYSA-N- Molecular formula
- C14H15BrN2O3
- Average molar mass
- 339.18 g/mol
- Monoisotopic mass
- 338.0266
Names & identifiers
- Preferred name
- 1-(Bromomethyl)-5-ethyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 1-(bromomethyl)-5-ethyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
Names & synonyms
50441-27-5DTXSID709646851-(bromomethyl)-5-ethyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trioneRefChem:1054610DTXCID401392375BRN 07593711-(Bromomethyl)-5-ethyl-3-methyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrioneNSC1970952,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(bromomethyl)-5-ethyl-3-methyl-5-phenyl-NSC 197095NSC-197095
Database identifiers
- CAS
50441-27-5- PubChem CID
- 304581
- DTXSID
DTXSID70964685
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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