AC1MXDRU
3-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione
Also Known As: 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione|3-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)pentane-2,4-dione|3-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione|3-[2,5-dimethyl-3-phenyl-6-benzyl-8-hydropyrazolo[1,5-a]pyrimidin-7-ylthio]pen tane-2,4-dione
| Molecular Formula | C26H25N3O2S |
|---|---|
| Molecular Weight | 443.16675 g/mol |
| LogP | 5.24264 |
| Topological Polar Surface Area | 64.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.16675 |
| Monoisotopic Mass | 443.16675 |
| Heavy Atoms | 32 |
| Complexity | 1283.4087 |
Chemical Identifiers
| CAS Number | 877802-51-2 |
|---|---|
| SMILES | CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SC(C(=O)C)C(=O)C)C)C4=CC=CC=C4 |
Product Overview
AC1MXDRU (CAS 877802-51-2), with molecular formula C26H25N3O2S and molecular weight 443.16675 g/mol. IUPAC: 3-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione.
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