Basic information
- CAS
332946-43-7- Standard SMILES
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1C- InChIKey
LJVINHWHVWZYGM-UHFFFAOYSA-N- Molecular formula
- C24H21ClN4OS
- Average molar mass
- 449 g/mol
- Monoisotopic mass
- 448.1124602
Names & identifiers
- Preferred name
- 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
- IUPAC
- 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
- English name
- 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
- Molecular formula
- C24H21ClN4OS
- Molecular weight
- 448.97
Names & synonyms
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide332946-43-72-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamideSTK743157AKOS000580008ST50259079AG-690/40751069N-(3,4-dimethylphenyl)-2-[5-(4-chlorophenyl)-4-phenyl(1,2,4-triazol-3-ylthio)] acetamide2-((5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-dimethylphenyl)acetamideAcetamide, 2-[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(3,4-dimethylphenyl)-
Database identifiers
- CAS
332946-43-7- PubChem CID
- 3137032
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 582
Physicochemical properties
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 12.9 · 12.90±0.70(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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