methyl (2-bromo-6-chloro-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Basic information
- CAS
6069-07-4- Standard SMILES
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br- InChIKey
YYOCZVNTNJUTHZ-VIZOYTHASA-N- Molecular formula
- C22H18BrClN2O6
- Average molar mass
- 521.7 g/mol
- Monoisotopic mass
- 520.00368
Names & identifiers
- Preferred name
- methyl (2-bromo-6-chloro-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
- IUPAC
- methyl 2-[2-bromo-6-chloro-4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate
Names & synonyms
STK1706816069-07-4methyl (2-bromo-6-chloro-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetateDTXSID70367435AKOS003195863methyl 2-[2-bromo-6-chloro-4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetateMethyl (2-bromo-6-chloro-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetatemethyl (2-bromo-6-chloro-4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}phenoxy)acetate
Database identifiers
- CAS
6069-07-4- PubChem CID
- 2267009
- DTXSID
DTXSID70367435
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 795
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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