AC1NCS52
2-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(2-nitrophenyl)acetamide
Also Known As: 2-((5-(tert-butyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(2-nitrophenyl)acetamide|2-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(2-nitrophenyl)acetamide|2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N-(2-nitrophenyl)acetamide|2-[5-(tert-butyl)-2-methyl-3-phenyl(8-hydropyrazolo[1,5-a]pyrimidin-7-ylthio)] -N-(2-nitrophenyl)acetamide
| Molecular Formula | C25H25N5O3S |
|---|---|
| Molecular Weight | 475.16782 g/mol |
| LogP | 5.64122 |
| Topological Polar Surface Area | 102.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.16782 |
| Monoisotopic Mass | 475.16782 |
| Heavy Atoms | 34 |
| Complexity | 1376.8278 |
Chemical Identifiers
| CAS Number | 879451-94-2 |
|---|---|
| SMILES | CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)SCC(=O)NC4=CC=CC=C4[N+](=O)[O-] |
Product Overview
AC1NCS52 (CAS 879451-94-2), with molecular formula C25H25N5O3S and molecular weight 475.16782 g/mol. IUPAC: 2-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(2-nitrophenyl)acetamide.
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