AC1M1V3K
3-(4-nitrophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: Oprea1_661619|3-(4-nitrophenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one|F0580-1036|3-(4-nitrophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one|3-(4-nitrophenyl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
CAS: 536716-63-9
| Molecular Formula | C23H21N5O4S |
|---|---|
| Molecular Weight | 463.13144 g/mol |
| LogP | 3.8798 |
| Topological Polar Surface Area | 114.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.13144 |
| Monoisotopic Mass | 463.13144 |
| Heavy Atoms | 33 |
| Complexity | 1420.8375 |
Chemical Identifiers
| CAS Number | 536716-63-9 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53 |
Product Overview
AC1M1V3K (CAS 536716-63-9), with molecular formula C23H21N5O4S and molecular weight 463.13144 g/mol. IUPAC: 3-(4-nitrophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
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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