Oprea1_869575
N-(4-fluorophenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: Oprea1_869575|F0580-1053|N-(4-fluorophenyl)-2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide|N-(4-fluorophenyl)-2-((3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide|N-(4-fluorophenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C24H16FN5O4S |
|---|---|
| Molecular Weight | 489.0907 g/mol |
| LogP | 4.6451 |
| Topological Polar Surface Area | 122.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.0907 |
| Monoisotopic Mass | 489.0907 |
| Heavy Atoms | 35 |
| Complexity | 1645.7374 |
Chemical Identifiers
| CAS Number | 536716-80-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)F)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
Oprea1_869575 (CAS 536716-80-0), with molecular formula C24H16FN5O4S and molecular weight 489.0907 g/mol. IUPAC: N-(4-fluorophenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
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