AC1M1UI4
3-(3,5-dimethylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: Oprea1_030965|NCGC00135467-01|G856-0931|3-(3,5-dimethylphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one|F0580-0287|3-(3,5-dimethylphenyl)-2-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one|3-(3,5-dimethylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C26H28N4O2S |
|---|---|
| Molecular Weight | 460.1933 g/mol |
| LogP | 4.83444 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.1933 |
| Monoisotopic Mass | 460.1933 |
| Heavy Atoms | 33 |
| Complexity | 1393.0978 |
Chemical Identifiers
| CAS Number | 536705-34-7 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC(=C4)C)C)NC5=CC=CC=C53 |
Product Overview
AC1M1UI4 (CAS 536705-34-7), with molecular formula C26H28N4O2S and molecular weight 460.1933 g/mol. IUPAC: 3-(3,5-dimethylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
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