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Tert-butyl 2-[[7-(3,5-dichlorophenyl)-5-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]propanoate

HCID 67390351
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(NC(=O)c1cnc2n1C(C)(Cc1ccc(-c3ccc(F)cc3)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C
InChIKey
LPOFYGNMEXQGSP-UHFFFAOYSA-N
Molecular formula
C33H31Cl2FN4O4
Average molar mass
637.5 g/mol

Names & identifiers

Preferred name
Tert-butyl 2-[[7-(3,5-dichlorophenyl)-5-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]propanoate
IUPAC
tert-butyl 2-[[7-(3,5-dichlorophenyl)-5-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]propanoate

Names & synonyms

SCHEMBL2392588

Database identifiers

PubChem CID
67390351

Properties

Computed structural propertiesFilling in

XLogP
7.2
Topological polar surface area
93.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
44
Formal charge
0
Complexity
1,050

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Related reactions

2 records
New reaction record
HRID 2143866 reaction equation
HRID 2143866As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2152341 reaction equation
HRID 2152341As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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