1-Methylethyl 5-bromo-2-[5-[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]-2-furanyl]benzoate
Basic information
- CAS
433254-88-7- Standard SMILES
CC(C)OC(=O)c1cc(Br)ccc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1- InChIKey
FIOCOLILVXGSHI-UHFFFAOYSA-N- Molecular formula
- C21H19BrN2O6
- Average molar mass
- 475.3 g/mol
- Monoisotopic mass
- 474.04265
Names & identifiers
- Preferred name
- 1-Methylethyl 5-bromo-2-[5-[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]-2-furanyl]benzoate
- IUPAC
- propan-2-yl 5-bromo-2-[5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoate
Names & synonyms
433254-88-71-Methylethyl 5-bromo-2-[5-[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]-2-furanyl]benzoateDTXSID501106585AKOS003249090propan-2-yl 5-bromo-2-[5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoateisopropyl 5-bromo-2-{5-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoate
Database identifiers
- CAS
433254-88-7- PubChem CID
- 1323027
- DTXSID
DTXSID501106585
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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