C28H20N6O3 structure

C28H20N6O3

methyl 4-[(E)-(14-methyl-12-oxo-13-phenyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl)iminomethyl]benzoate

Also Known As: (E)-methyl 4-(((2-methyl-4-oxo-3-phenyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)imino)methyl)benzoate|methyl 4-{(E)-[(2-methyl-4-oxo-3-phenyl-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl)imino]methyl}benzoate

CAS: 844446-68-0
Molecular Formula C28H20N6O3
Molecular Weight 488.1597 g/mol
LogP 4.26082
Topological Polar Surface Area 104.26 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 4
Exact Mass 488.1597
Monoisotopic Mass 488.1597
Heavy Atoms 37
Complexity 1905.0402

Chemical Identifiers

CAS Number 844446-68-0
SMILES CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2/N=C/C5=CC=C(C=C5)C(=O)OC)C(=O)N1C6=CC=CC=C6

Product Overview

C28H20N6O3 (CAS 844446-68-0), with molecular formula C28H20N6O3 and molecular weight 488.1597 g/mol. IUPAC: methyl 4-[(E)-(14-methyl-12-oxo-13-phenyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl)iminomethyl]benzoate.

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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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