AC1MX3FS
3-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylbutan-2-one
Also Known As: 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}butan-2-one|3-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)butan-2-one|3-[5-(tert-butyl)-3-(4-chlorophenyl)-2-methyl-8-hydropyrazolo[1,5-a]pyrimidin- 7-ylthio]butan-2-one|3-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylbutan-2-one
| Molecular Formula | C21H24ClN3OS |
|---|---|
| Molecular Weight | 401.13287 g/mol |
| LogP | 5.72522 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.13287 |
| Monoisotopic Mass | 401.13287 |
| Heavy Atoms | 27 |
| Complexity | 1002.924 |
Chemical Identifiers
| CAS Number | 877792-22-8 |
|---|---|
| SMILES | CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SC(C)C(=O)C |
Product Overview
AC1MX3FS (CAS 877792-22-8), with molecular formula C21H24ClN3OS and molecular weight 401.13287 g/mol. IUPAC: 3-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylbutan-2-one.
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