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6-(4-Bromo-2-fluoro-phenyl)-8-cyclopropanesulfonyl-4,5-difluoro-2-methyl-6,8-dihydro-imidazo [4',5':3,4]benzo[1,2-d]oxazol-7-one

HCID 67237293
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Basic information

Standard SMILES
Cc1nc2c(F)c(F)c3c(c2o1)n(S(=O)(=O)C1CC1)c(=O)n3-c1ccc(Br)cc1F
InChIKey
TYURYXCBYREXAT-UHFFFAOYSA-N
Molecular formula
C18H11BrF3N3O4S
Average molar mass
502.3 g/mol

Names & identifiers

Preferred name
6-(4-Bromo-2-fluoro-phenyl)-8-cyclopropanesulfonyl-4,5-difluoro-2-methyl-6,8-dihydro-imidazo [4',5':3,4]benzo[1,2-d]oxazol-7-one
IUPAC
6-(4-bromo-2-fluorophenyl)-8-cyclopropylsulfonyl-4,5-difluoro-2-methylimidazo[4,5-g][1,3]benzoxazol-7-one

Names & synonyms

SCHEMBL1984529TYURYXCBYREXAT-UHFFFAOYSA-N6-(4-bromo-2-fluoro-phenyl)-8-cyclopropanesulfonyl-4,5-difluoro-2-methyl-6,8-dihydro-imidazo [4',5':3,4]benzo[1,2-d]oxazol-7-one6-(4-Bromo-2-fluoro-phenyl)-8-cyclopropanesulfonyl-4,5-difluoro-2-methyl-6,8-dihydro-imidazo[4',5':3,4]benzo[1,2-d]oxazol-7-one

Database identifiers

PubChem CID
67237293

Properties

Computed structural propertiesFilling in

XLogP
3.8
Topological polar surface area
92.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
30
Formal charge
0
Complexity
828

Related reactions

3 records
New reaction record
HRID 151422 reaction equation
HRID 151422As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1914888 reaction equation
HRID 1914888As productuspto-grants-2013_12
HRID 1914904 reaction equation
HRID 1914904As reactantuspto-grants-2013_12

Compound notes

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