2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
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Basic information
- CAS
332945-84-3- Standard SMILES
COc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)n2-c2ccccc2)cc1OC- InChIKey
XVJPZPKXLLCYOI-UHFFFAOYSA-N- Molecular formula
- C28H24N4O3S
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.15691181
Names & identifiers
- Preferred name
- 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
- IUPAC
- 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
- English name
- 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)acetamide
- Molecular formula
- C28H24N4O3S
- Molecular weight
- 496.58
Names & synonyms
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)acetamideAKOS0005716982-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamideST50259014AG-690/407510262-[5-(3,4-dimethoxyphenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-N-naphthylacetami deAcetamide, 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-1-naphthalenyl-
Database identifiers
- CAS
332945-84-3- PubChem CID
- 995189
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 708
Physicochemical properties
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 12.91 · 12.91±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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