2-(4-Methoxy-3-methylphenyl)-1-{3-methyl-5-[4-(trifluoromethyl)phenyl]thien-2-yl}ethanone

HCID 21986370
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Basic information

Standard SMILES
COc1ccc(CC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)cc2C)cc1C
InChIKey
NRBBMHKIPFTFDW-UHFFFAOYSA-N
Molecular formula
C22H19F3O2S
Average molar mass
404.4 g/mol

Names & identifiers

Preferred name
2-(4-Methoxy-3-methylphenyl)-1-{3-methyl-5-[4-(trifluoromethyl)phenyl]thien-2-yl}ethanone
IUPAC
2-(4-methoxy-3-methylphenyl)-1-[3-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethanone

Names & synonyms

2-(4-methoxy-3-methylphenyl)-1-{3-methyl-5-[4-(trifluoromethyl)phenyl]thien-2-yl}ethanoneSCHEMBL5862768

Database identifiers

PubChem CID
21986370

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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