AC1Q2I4Q
2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: 2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide|2-((4-allyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide|2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylthio))-N-(2,4,6-trimethylphe nyl)acetamide|2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
| Molecular Formula | C20H22N6OS |
|---|---|
| Molecular Weight | 394.1576 g/mol |
| LogP | 3.57716 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.1576 |
| Monoisotopic Mass | 394.1576 |
| Heavy Atoms | 28 |
| Complexity | 976.18054 |
Chemical Identifiers
| CAS Number | 679798-85-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3)C |
Product Overview
AC1Q2I4Q (CAS 679798-85-7), with molecular formula C20H22N6OS and molecular weight 394.1576 g/mol. IUPAC: 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
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