AC1N0BYI
13-butan-2-yl-17-(4-fluoro-3-nitrophenyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: 3-(butan-2-yl)-11-(4-fluoro-3-nitrophenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one|3-(sec-butyl)-11-(4-fluoro-3-nitrophenyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
| Molecular Formula | C23H19FN6O3 |
|---|---|
| Molecular Weight | 446.15027 g/mol |
| LogP | 4.61032 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.15027 |
| Monoisotopic Mass | 446.15027 |
| Heavy Atoms | 33 |
| Complexity | 1656.031 |
Chemical Identifiers
| CAS Number | 846594-77-2 |
|---|---|
| SMILES | CCC(C)N1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)F)[N+](=O)[O-])C |
Product Overview
AC1N0BYI (CAS 846594-77-2), with molecular formula C23H19FN6O3 and molecular weight 446.15027 g/mol. IUPAC: 13-butan-2-yl-17-(4-fluoro-3-nitrophenyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
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