3-Imidazolidineacetic acid, 2,4-dioxo-5-(m-(trifluoromethyl)benzyl)-, ethyl ester
Basic information
- CAS
76614-52-3- Standard SMILES
CCOC(=O)CN1C(=O)NC(Cc2cccc(C(F)(F)F)c2)C1=O- InChIKey
JVFDGCGDQFBEBJ-UHFFFAOYSA-N- Molecular formula
- C15H15F3N2O4
- Average molar mass
- 344.29 g/mol
- Monoisotopic mass
- 344.09839145
Names & identifiers
- Preferred name
- 3-Imidazolidineacetic acid, 2,4-dioxo-5-(m-(trifluoromethyl)benzyl)-, ethyl ester
- IUPAC
- ethyl 2-[2,5-dioxo-4-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]acetate
Names & synonyms
76614-52-33-Imidazolidineacetic acid, 2,4-dioxo-5-(m-(trifluoromethyl)benzyl)-, ethyl ester2,4-Dioxo-5-(m-(trifluoromethyl)benzyl)-3-imidazolidineacetic acid ethyl esterRefChem:279990CHEMBL139660DTXSID40997945Ethyl (2-hydroxy-5-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-imidazol-1-yl)acetate
Database identifiers
- CAS
76614-52-3- PubChem CID
- 53523
- DTXSID
DTXSID40997945- ChEMBL
CHEMBL139660
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 509
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Compound notes
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