2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
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Basic information
- CAS
482614-75-5- Standard SMILES
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2-c2ccccc2)cc1OC- InChIKey
PQTANHFRPHUFBS-UHFFFAOYSA-N- Molecular formula
- C26H26N4O3S
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.17256188
Names & identifiers
- Preferred name
- 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
- IUPAC
- 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
- English name
- 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
- Molecular formula
- C26H26N4O3S
- Molecular weight
- 474.57464
Names & synonyms
2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamideCBKinase1_003026CBKinase1_015426AKOS000590879ST059045AG-690/40749924BRD-K63730278-001-01-42-[5-(3,4-dimethoxyphenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethylph enyl)acetamide482614-75-5
Database identifiers
- CAS
482614-75-5- PubChem CID
- 1206834
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 650
Related reactions
0 records
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Compound notes
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