AC1M1V5Q
ethyl 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
Also Known As: Oprea1_668914|ethyl 2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate|F0580-1111|ethyl 2-((3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetate|ethyl 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
CAS: 536717-39-2
| Molecular Formula | C20H16N4O5S |
|---|---|
| Molecular Weight | 424.08414 g/mol |
| LogP | 3.4304 |
| Topological Polar Surface Area | 120.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.08414 |
| Monoisotopic Mass | 424.08414 |
| Heavy Atoms | 30 |
| Complexity | 1327.0358 |
Chemical Identifiers
| CAS Number | 536717-39-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C42 |
Product Overview
AC1M1V5Q (CAS 536717-39-2), with molecular formula C20H16N4O5S and molecular weight 424.08414 g/mol. IUPAC: ethyl 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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