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5-[3,5-Bis(trifluoromethyl)phenyl]-3-[[5-bromo-2-(2-chloro-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

HCID 73005774
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Basic information

Standard SMILES
CC(C)c1ccc(Cl)c(-c2ccc(Br)cc2CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)c1
InChIKey
YFJHMQRNMQLXSE-UHFFFAOYSA-N
Molecular formula
C28H23BrClF6NO2
Average molar mass
634.8 g/mol

Names & identifiers

Preferred name
5-[3,5-Bis(trifluoromethyl)phenyl]-3-[[5-bromo-2-(2-chloro-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
IUPAC
5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-bromo-2-(2-chloro-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

Names & synonyms

SCHEMBL10242231YFJHMQRNMQLXSE-UHFFFAOYSA-N5-[3,5-Bis(trifluoromethyl)phenyl]-3-[[5-bromo-2-(2-chloro-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

Database identifiers

PubChem CID
73005774

Properties

Computed structural properties

XLogP
9.2
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
39
Formal charge
0
Complexity
835

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Related reactions

2 records
New reaction record
HRID 94480 reaction equation
HRID 94480As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 676264 reaction equation
HRID 676264As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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