1-[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-2-(3-trifluoromethyl-benzylsulfanyl)-ethanol

HCID 66577288
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Basic information

Standard SMILES
Cc1noc(-c2ccc(Br)cc2)c1C(O)CSCc1cccc(C(F)(F)F)c1
InChIKey
MZQXWQGWNQDOPU-UHFFFAOYSA-N
Molecular formula
C20H17BrF3NO2S
Average molar mass
472.3 g/mol

Names & identifiers

Preferred name
1-[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-2-(3-trifluoromethyl-benzylsulfanyl)-ethanol
IUPAC
1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethanol

Names & synonyms

1-[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-2-(3-trifluoromethyl-benzylsulfanyl)-ethanolSCHEMBL1626

Database identifiers

PubChem CID
66577288

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
71.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
28

Related reactions

7 records
New reaction record

Compound notes

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