AC1LLJ67
4-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methylphenyl]-2-methylphthalazin-1-one
Also Known As: BAS 06635472|4-(3-((4-benzylpiperidin-1-yl)sulfonyl)-4-methylphenyl)-2-methylphthalazin-1(2H)-one|4-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methylphenyl]-2-methylphthalazin-1-one|4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-methylphenyl}-2-methylphthalazin-1(2H)-one|4-{3-[(4-BENZYLPIPERIDIN-1-YL)SULFONYL]-4-METHYLPHENYL}-2-METHYL-1,2-DIHYDROPHTHALAZIN-1-ONE
| Molecular Formula | C28H29N3O3S |
|---|---|
| Molecular Weight | 487.19296 g/mol |
| LogP | 4.55232 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.19296 |
| Monoisotopic Mass | 487.19296 |
| Heavy Atoms | 35 |
| Complexity | 1537.2694 |
Chemical Identifiers
| CAS Number | 799258-44-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCC(CC4)CC5=CC=CC=C5 |
Product Overview
AC1LLJ67 (CAS 799258-44-9), with molecular formula C28H29N3O3S and molecular weight 487.19296 g/mol. IUPAC: 4-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methylphenyl]-2-methylphthalazin-1-one.
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