Basic information
- Standard SMILES
CC(=O)c1ccc(OCc2ccc(Sc3ccc(C#N)nc3)cc2)c(C)c1O- InChIKey
AQKPDNPICGFZKB-UHFFFAOYSA-N- Molecular formula
- C22H18N2O3S
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- 5-(4-((4-Acetyl-3-hydroxy-2-methylphenoxy)methyl)phenylthio) picolinonitrile
- IUPAC
- 5-[4-[(4-acetyl-3-hydroxy-2-methylphenoxy)methyl]phenyl]sulfanylpyridine-2-carbonitrile
Names & synonyms
SCHEMBL3167208AQKPDNPICGFZKB-UHFFFAOYSA-N5-(4-((4-Acetyl-3-hydroxy-2-methylphenoxy)methyl)phenylthio) picolinonitrile
Database identifiers
- PubChem CID
- 68535875
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 569
Related reactions
2 records
Compound notes
Loading…