Oprea1_403167
N-(3-methylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: Oprea1_403167|F0580-1056|N-(3-methylphenyl)-2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide|2-((3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(m-tolyl)acetamide|N-(3-methylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C25H19N5O4S |
|---|---|
| Molecular Weight | 485.11578 g/mol |
| LogP | 4.81442 |
| Topological Polar Surface Area | 122.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.11578 |
| Monoisotopic Mass | 485.11578 |
| Heavy Atoms | 35 |
| Complexity | 1656.93 |
Chemical Identifiers
| CAS Number | 536716-83-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53 |
Product Overview
Oprea1_403167 (CAS 536716-83-3), with molecular formula C25H19N5O4S and molecular weight 485.11578 g/mol. IUPAC: N-(3-methylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
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