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3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

HCID 178492941
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C1OC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C
InChIKey
VSWIANQVPTWLFG-UHFFFAOYSA-N
Molecular formula
C30H25F10NO3
Average molar mass
637.5 g/mol
Monoisotopic mass
637.16747528

Names & identifiers

IUPAC
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Database identifiers

PubChem CID
73059365

Properties

Computed structural properties

XLogP
8.8
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
13
Rotatable bonds
6
Heavy atoms
44
Formal charge
0
Complexity
964

Related reactions

1 records
New reaction record
HRID 106052 reaction equation
HRID 106052As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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