AC1M1UIS
N-(1,3-benzodioxol-5-yl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: SDCCGSBI-0659321.P001|NCGC00135499-01|G856-0949|F0580-0313|N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide|N-(1,3-benzodioxol-5-yl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide|N-(benzo[d][1,3]dioxol-5-yl)-2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
| Molecular Formula | C27H22N4O4S |
|---|---|
| Molecular Weight | 498.13617 g/mol |
| LogP | 4.94334 |
| Topological Polar Surface Area | 98.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.13617 |
| Monoisotopic Mass | 498.13617 |
| Heavy Atoms | 36 |
| Complexity | 1702.8478 |
Chemical Identifiers
| CAS Number | 536705-60-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC6=C(C=C5)OCO6)C |
Product Overview
AC1M1UIS (CAS 536705-60-9), with molecular formula C27H22N4O4S and molecular weight 498.13617 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
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