4-(4-Bromo-benzenesulfonylmethyl)-2-[2-(4-trifluoromethanesulfinyl-phenyl)-vinyl]-oxazole

HCID 69291908
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Basic information

Standard SMILES
O=S(c1ccc(C=Cc2nc(CS(=O)(=O)c3ccc(Br)cc3)co2)cc1)C(F)(F)F
InChIKey
SRRFOCQTJWCJPP-UHFFFAOYSA-N
Molecular formula
C19H13BrF3NO4S2
Average molar mass
520.3 g/mol
Monoisotopic mass
518.94215

Names & identifiers

Preferred name
4-(4-Bromo-benzenesulfonylmethyl)-2-[2-(4-trifluoromethanesulfinyl-phenyl)-vinyl]-oxazole
IUPAC
4-[(4-bromophenyl)sulfonylmethyl]-2-[2-[4-(trifluoromethylsulfinyl)phenyl]ethenyl]-1,3-oxazole

Names & synonyms

4-(4-bromo-benzenesulfonylmethyl)-2-[2-(4-trifluoromethanesulfinyl-phenyl)-vinyl]-oxazoleSCHEMBL5045335

Database identifiers

PubChem CID
69291908

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
105 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
30

Related reactions

4 records
New reaction record

Compound notes

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