Basic information
- Standard SMILES
CCc1c(OCc2cccc(Sc3cc(C#N)ccn3)c2)ccc(C(C)=O)c1O- InChIKey
KEWPDYQFLCLSPN-UHFFFAOYSA-N- Molecular formula
- C23H20N2O3S
- Average molar mass
- 404.5 g/mol
Names & identifiers
- Preferred name
- 6-(3-((4-Acetyl-2-ethyl-3-hydroxyphenoxy)methyl)phenylthio) isonicotinonitrile
- IUPAC
- 2-[3-[(4-acetyl-2-ethyl-3-hydroxyphenoxy)methyl]phenyl]sulfanylpyridine-4-carbonitrile
Names & synonyms
SCHEMBL3167069KEWPDYQFLCLSPN-UHFFFAOYSA-N6-(3-((4-acetyl-2-ethyl-3-hydroxyphenoxy)methyl)phenylthio) isonicotinonitrile
Database identifiers
- PubChem CID
- 68535845
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 592
Related reactions
2 records
Compound notes
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