AC1N1QD3
13-(3-methylbutyl)-17-[(4-methylphenyl)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-methylbenzyl)-3-(3-methylbutyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one|3-isopentyl-11-(4-methylbenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
CAS: 847035-85-2
| Molecular Formula | C25H25N5O |
|---|---|
| Molecular Weight | 411.2059 g/mol |
| LogP | 4.69722 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.2059 |
| Monoisotopic Mass | 411.2059 |
| Heavy Atoms | 31 |
| Complexity | 1461.3862 |
Chemical Identifiers
| CAS Number | 847035-85-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CCC(C)C |
Product Overview
AC1N1QD3 (CAS 847035-85-2), with molecular formula C25H25N5O and molecular weight 411.2059 g/mol. IUPAC: 13-(3-methylbutyl)-17-[(4-methylphenyl)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.
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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