AC1OTX43
2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenylacetamide
Also Known As: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenylacetamide|2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(cyanomethyl)-N-phenylacetamide
CAS: 879360-89-1
| Molecular Formula | C23H25N5OS |
|---|---|
| Molecular Weight | 419.17798 g/mol |
| LogP | 4.42848 |
| Topological Polar Surface Area | 74.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.17798 |
| Monoisotopic Mass | 419.17798 |
| Heavy Atoms | 30 |
| Complexity | 1045.9377 |
Chemical Identifiers
| CAS Number | 879360-89-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)N(CC#N)C3=CC=CC=C3 |
Product Overview
AC1OTX43 (CAS 879360-89-1), with molecular formula C23H25N5OS and molecular weight 419.17798 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenylacetamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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