AC1N28KE structure

AC1N28KE

17-(4-bromo-3-methylphenyl)-13-butan-2-yl-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: 11-(4-bromo-3-methylphenyl)-3-(butan-2-yl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one|11-(4-bromo-3-methylphenyl)-3-(sec-butyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one

CAS: 845652-91-7
Molecular Formula C24H22BrN5O
Molecular Weight 475.10077 g/mol
LogP 5.63394
Topological Polar Surface Area 65.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 475.10077
Monoisotopic Mass 475.10077
Heavy Atoms 31
Complexity 1549.5387

Chemical Identifiers

CAS Number 845652-91-7
SMILES CCC(C)N1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)Br)C)C

Product Overview

AC1N28KE (CAS 845652-91-7), with molecular formula C24H22BrN5O and molecular weight 475.10077 g/mol. IUPAC: 17-(4-bromo-3-methylphenyl)-13-butan-2-yl-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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