AC1N0BYI structure

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

CAS: 846594-77-2
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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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.
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