Basic information
- CAS
332947-86-1- Standard SMILES
CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1- InChIKey
LDTSSTDNKUCDNA-UHFFFAOYSA-N- Molecular formula
- C25H23ClN4O2S
- Average molar mass
- 479 g/mol
Names & identifiers
- Preferred name
- 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
- IUPAC
- 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
- English name
- 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
- Molecular formula
- C25H23ClN4O2S
- Molecular weight
- 478.99
Names & synonyms
2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide332947-86-12-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamideSTK100149AKOS000583242ST50060339AG-690/407509022-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethoxyphenyl)acetamide2-((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-ETHOXY-PH)ACETAMIDE2-[5-(4-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-ethoxyp henyl)acetamideAcetamide, 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)-
Database identifiers
- CAS
332947-86-1
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 605
Physicochemical properties
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 12.33 · 12.33±0.70(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…