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
| 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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