AC1Q1ODK
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
Also Known As: 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide|2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide|2-((4,5-di-p-tolyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide|2-[4,5-bis(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[2-(methylethyl)phenyl]a cetamide
| Molecular Formula | C27H28N4OS |
|---|---|
| Molecular Weight | 456.1984 g/mol |
| LogP | 6.40534 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.1984 |
| Monoisotopic Mass | 456.1984 |
| Heavy Atoms | 33 |
| Complexity | 1244.1188 |
Chemical Identifiers
| CAS Number | 848922-76-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NC4=CC=CC=C4C(C)C |
Product Overview
AC1Q1ODK (CAS 848922-76-9), with molecular formula C27H28N4OS and molecular weight 456.1984 g/mol. IUPAC: 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide.
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