AC1MFXNH
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone
Also Known As: CBKinase1_006051|CBKinase1_018451|BRD-K71699103-001-01-2|2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone|2-((4,6-Dimethylpyrimidin-2-yl)thio)-1-(4-(4-(p-tolyl)phthalazin-1-yl)piperazin-1-yl)ethan-1-one|2-((4,6-dimethylpyrimidin-2-yl)thio)-1-(4-(4-(p-tolyl)phthalazin-1-yl)piperazin-1-yl)ethanone|2-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]-1-{4-[4-(4-METHYLPHENYL)PHTHALAZIN-1-YL]PIPERAZIN-1-YL}ETHAN-1-ONE|2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-{4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl}ethanone
| Molecular Formula | C27H28N6OS |
|---|---|
| Molecular Weight | 484.20453 g/mol |
| LogP | 4.45296 |
| Topological Polar Surface Area | 75.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.20453 |
| Monoisotopic Mass | 484.20453 |
| Heavy Atoms | 35 |
| Complexity | 1345.9751 |
Chemical Identifiers
| CAS Number | 701231-72-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CSC5=NC(=CC(=N5)C)C |
Product Overview
AC1MFXNH (CAS 701231-72-3), with molecular formula C27H28N6OS and molecular weight 484.20453 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone.
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