AC1M1V3Q
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: Oprea1_775846|AB00668882-01|F0580-1044|2-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-3-(4-nitrophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one|3-(4-nitrophenyl)-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one|2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C27H21N5O4S |
|---|---|
| Molecular Weight | 511.13144 g/mol |
| LogP | 4.8467 |
| Topological Polar Surface Area | 114.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.13144 |
| Monoisotopic Mass | 511.13144 |
| Heavy Atoms | 37 |
| Complexity | 1742.1681 |
Chemical Identifiers
| CAS Number | 536716-71-9 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-])NC6=CC=CC=C64 |
Product Overview
AC1M1V3Q (CAS 536716-71-9), with molecular formula C27H21N5O4S and molecular weight 511.13144 g/mol. IUPAC: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one.
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