AC1NCGAY structure

AC1NCGAY

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

CAS: 847366-60-3
Molecular Formula C25H25N5O
Molecular Weight 411.2059 g/mol
LogP 5.17986
Topological Polar Surface Area 65.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 411.2059
Monoisotopic Mass 411.2059
Heavy Atoms 31
Complexity 1543.4814

Chemical Identifiers

CAS Number 847366-60-3
SMILES CCC(C)N1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=C(C=CC(=C5)C)C)C

Product Overview

AC1NCGAY (CAS 847366-60-3), with molecular formula C25H25N5O and molecular weight 411.2059 g/mol. IUPAC: 13-butan-2-yl-17-(2,5-dimethylphenyl)-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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