2-[2-Chloro-4-[[tetrahydro-1-(4-methylphenyl)-2,4,6-trioxo-5(2H)-pyrimidinylidene]methyl]phenoxy]acetic acid
Basic information
- CAS
886768-86-1- Standard SMILES
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)O)c(Cl)c3)C2=O)cc1- InChIKey
OQIBCADGIBQBDN-UHFFFAOYSA-N- Molecular formula
- C20H15ClN2O6
- Average molar mass
- 414.8 g/mol
- Monoisotopic mass
- 414.0618639
Names & identifiers
- Preferred name
- 2-[2-Chloro-4-[[tetrahydro-1-(4-methylphenyl)-2,4,6-trioxo-5(2H)-pyrimidinylidene]methyl]phenoxy]acetic acid
- IUPAC
- 2-[2-chloro-4-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Names & synonyms
DTXSID0011092892-[2-Chloro-4-[[tetrahydro-1-(4-methylphenyl)-2,4,6-trioxo-5(2H)-pyrimidinylidene]methyl]phenoxy]acetic acid886768-86-1
Database identifiers
- CAS
886768-86-1- PubChem CID
- 165367491
- DTXSID
DTXSID001109289
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 716
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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