AC1NK9I0 structure

AC1NK9I0

6-(3,4-dimethylphenyl)-9-ethyl-4-methyl-5,6,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),4,8,11,13,15-heptaen-3-one

Also Known As: 4-(3,4-dimethylphenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one|4-(3,4-dimethylphenyl)-6-ethyl-2-methylpyridazino[3',4':4,5]pyrimido[1,6-a]benzimidazol-1(4H)-one

CAS: 885178-89-2
Molecular Formula C23H21N5O
Molecular Weight 383.17462 g/mol
LogP 4.06926
Topological Polar Surface Area 65.08 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 2
Exact Mass 383.17462
Monoisotopic Mass 383.17462
Heavy Atoms 29
Complexity 1493.0334

Chemical Identifiers

CAS Number 885178-89-2
SMILES CCC1=NC2=C(C(=O)C(=NN2C3=CC(=C(C=C3)C)C)C)C4=NC5=CC=CC=C5N14

Product Overview

AC1NK9I0 (CAS 885178-89-2), with molecular formula C23H21N5O and molecular weight 383.17462 g/mol. IUPAC: 6-(3,4-dimethylphenyl)-9-ethyl-4-methyl-5,6,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),4,8,11,13,15-heptaen-3-one.

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