AC1NFDGG
2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: Oprea1_311887|2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide|F0580-0326|2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(4-nitrophenyl)acetamide|2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-nitrophenyl)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 | 1685.9136 |
Chemical Identifiers
| CAS Number | 536705-73-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=C(C=C5)[N+](=O)[O-])C |
Product Overview
AC1NFDGG (CAS 536705-73-4), with molecular formula C26H21N5O4S and molecular weight 499.13144 g/mol. IUPAC: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
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