AC1MX5JE structure

AC1MX5JE

13-[(2-chlorophenyl)methyl]-17-[(2-methoxyphenyl)methyl]-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-(2-chlorobenzyl)-11-(2-methoxybenzyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one|3-(2-chlorobenzyl)-11-(2-methoxybenzyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

CAS: 836631-08-4
Molecular Formula C28H22ClN5O2
Molecular Weight 495.1462 g/mol
LogP 5.36142
Topological Polar Surface Area 74.83 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 495.1462
Monoisotopic Mass 495.1462
Heavy Atoms 36
Complexity 1840.1632

Chemical Identifiers

CAS Number 836631-08-4
SMILES CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC=CC=C5OC)C(=O)N1CC6=CC=CC=C6Cl

Product Overview

AC1MX5JE (CAS 836631-08-4), with molecular formula C28H22ClN5O2 and molecular weight 495.1462 g/mol. IUPAC: 13-[(2-chlorophenyl)methyl]-17-[(2-methoxyphenyl)methyl]-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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