5-(3-((4-Acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio) picolinonitrile

HCID 68535809
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Basic information

Standard SMILES
CCCc1c(OCc2cccc(Sc3ccc(C#N)nc3)c2)ccc(C(C)=O)c1O
InChIKey
HECMTEWWDBAIPD-UHFFFAOYSA-N
Molecular formula
C24H22N2O3S
Average molar mass
418.5 g/mol

Names & identifiers

Preferred name
5-(3-((4-Acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio) picolinonitrile
IUPAC
5-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]sulfanylpyridine-2-carbonitrile

Names & synonyms

SCHEMBL3166922HECMTEWWDBAIPD-UHFFFAOYSA-N5-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio) picolinonitrile

Database identifiers

PubChem CID
68535809

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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