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5,5-Dimethyl-1-(2-ethoxypyrid-4-ylmethyl)-3-(4-trifluoromethoxyphenyl)imidazolidine-2,4-dione

HCID 59694331
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cc(CN2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)C2(C)C)ccn1
InChIKey
OUNNBCTZBZQMFX-UHFFFAOYSA-N
Molecular formula
C20H20F3N3O4
Average molar mass
423.4 g/mol
Monoisotopic mass
423.14059061

Names & identifiers

Preferred name
5,5-Dimethyl-1-(2-ethoxypyrid-4-ylmethyl)-3-(4-trifluoromethoxyphenyl)imidazolidine-2,4-dione
IUPAC
1-[(2-ethoxy-4-pyridinyl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

Names & synonyms

5,5-dimethyl-1-(2-ethoxypyrid-4-ylmethyl)-3-(4-trifluoromethoxyphenyl)imidazolidine-2,4-dioneSCHEMBL2938144

Database identifiers

PubChem CID
59694331

Properties

Computed structural propertiesFilling in

XLogP
3.7
Topological polar surface area
72 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
30
Formal charge
0
Complexity
635

Related reactions

4 records
New reaction record
HRID 138868 reaction equation
HRID 138868As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 316071 reaction equation
HRID 316071As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 899975 reaction equation
HRID 899975As productuspto-grants-2008_04
HRID 1169668 reaction equation
HRID 1169668As productuspto-grants-2010_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes