AC1M1UIP
2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
Also Known As: Oprea1_106907|NCGC00135477-01|G856-0942|2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide|F0580-0305|2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(4-ethoxyphenyl)acetamide|2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C28H26N4O3S |
|---|---|
| Molecular Weight | 498.17258 g/mol |
| LogP | 5.61334 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.17258 |
| Monoisotopic Mass | 498.17258 |
| Heavy Atoms | 36 |
| Complexity | 1617.0719 |
Chemical Identifiers
| CAS Number | 536705-52-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC(=C4)C)C)NC5=CC=CC=C53 |
Product Overview
AC1M1UIP (CAS 536705-52-9), with molecular formula C28H26N4O3S and molecular weight 498.17258 g/mol. IUPAC: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide.
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