Ethyl 2-[3-(mesitylmethyl)-2,4,5-trioxo-1-imidazolidinyl]acetate
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Basic information
- CAS
303986-40-5- Standard SMILES
CCOC(=O)CN1C(=O)C(=O)N(Cc2c(C)cc(C)cc2C)C1=O- InChIKey
YTHCITDQSDAHNB-UHFFFAOYSA-N- Molecular formula
- C17H20N2O5
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.13722174
Names & identifiers
- Preferred name
- Ethyl 2-[3-(mesitylmethyl)-2,4,5-trioxo-1-imidazolidinyl]acetate
- IUPAC
- ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate
- English name
- ETHYL 2-[3-(MESITYLMETHYL)-2,4,5-TRIOXO-1-IMIDAZOLIDINYL]ACETATE
- Molecular formula
- C17H20N2O5
- Molecular weight
- 332.35
Names & synonyms
303986-40-5ethyl 2-[3-(mesitylmethyl)-2,4,5-trioxo-1-imidazolidinyl]acetateethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetateethyl 2-{2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl}acetateMLS001165582CHEMBL1900606DTXSID701321648HMS2877N11AKOS005078254SMR00054981911M-020Ethyl {2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl}acetate
Show more names
1-Imidazolidineacetic acid, 2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]-, ethyl ester
ethyl2-{2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl}acetate
Database identifiers
- CAS
303986-40-5- PubChem CID
- 2767586
- DTXSID
DTXSID701321648- ChEMBL
CHEMBL1900606
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 535
Experimental & physicochemical properties
Solubility14 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 510.3 · 510.3±50.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- -2.89 · -2.89±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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