3,3'-Dichloro-4'-[3,3,3-trifluoro-2-hydroxy-2-(6-methoxy-pyridin-3-yl)-1-methyl-propyl]-biphenyl-4-carboxylic acid methyl ester

HCID 66699014
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Basic information

Standard SMILES
COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3ccc(OC)nc3)C(F)(F)F)c(Cl)c2)cc1Cl
InChIKey
JVWOEZTXPPBRIH-UHFFFAOYSA-N
Molecular formula
C24H20Cl2F3NO4
Average molar mass
514.3 g/mol
Monoisotopic mass
513.072148

Names & identifiers

Preferred name
3,3'-Dichloro-4'-[3,3,3-trifluoro-2-hydroxy-2-(6-methoxy-pyridin-3-yl)-1-methyl-propyl]-biphenyl-4-carboxylic acid methyl ester
IUPAC
methyl 2-chloro-4-[3-chloro-4-[4,4,4-trifluoro-3-hydroxy-3-(6-methoxy-3-pyridinyl)butan-2-yl]phenyl]benzoate

Names & synonyms

3,3'-Dichloro-4'-[3,3,3-trifluoro-2-hydroxy-2-(6-methoxy-pyridin-3-yl)-1-methyl-propyl]-biphenyl-4-carboxylic acid methyl esterSCHEMBL479723

Database identifiers

PubChem CID
66699014

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
68.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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