AC1M1V4H
N-(2,4-dimethylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: Oprea1_394647|F0580-1060|N-(2,4-dimethylphenyl)-2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide|N-(2,4-dimethylphenyl)-2-((3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide|N-(2,4-dimethylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C26H21N5O4S |
|---|---|
| Molecular Weight | 499.13144 g/mol |
| LogP | 5.12284 |
| Topological Polar Surface Area | 122.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.13144 |
| Monoisotopic Mass | 499.13144 |
| Heavy Atoms | 36 |
| Complexity | 1706.1636 |
Chemical Identifiers
| CAS Number | 536716-87-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53)C |
Product Overview
AC1M1V4H (CAS 536716-87-7), with molecular formula C26H21N5O4S and molecular weight 499.13144 g/mol. IUPAC: N-(2,4-dimethylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
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