3-[6'-Methyl-4'-(4-trifluoromethyl-phenyl)-[2,2']bipyridinyl-6-yl]-benzenesulfonic acid 2,2-dimethyl-propyl ester

HCID 86615467
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Basic information

Standard SMILES
Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)OCC(C)(C)C)c3)n2)n1
InChIKey
WVKROVAUAXUXDQ-UHFFFAOYSA-N
Molecular formula
C29H27F3N2O3S
Average molar mass
540.6 g/mol

Names & identifiers

Preferred name
3-[6'-Methyl-4'-(4-trifluoromethyl-phenyl)-[2,2']bipyridinyl-6-yl]-benzenesulfonic acid 2,2-dimethyl-propyl ester
IUPAC
2,2-dimethylpropyl 3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonate

Names & synonyms

3-[6'-methyl-4'-(4-trifluoromethyl-phenyl)-[2,2']bipyridinyl-6-yl]-benzenesulfonic acid 2,2-dimethyl-propyl esterSCHEMBL3565744

Database identifiers

PubChem CID
86615467

Properties

Computed structural properties

XLogP
7.1
Topological polar surface area
77.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
38

Related reactions

3 records
New reaction record

Compound notes

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