AC1LREA9
17-(4-chloro-3-nitrophenyl)-13-(3-methylbutyl)-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-chloro-3-nitrophenyl)-3-(3-methylbutyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one|11-(4-chloro-3-nitrophenyl)-3-isopentyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
CAS: 713085-39-3
| Molecular Formula | C23H19ClN6O3 |
|---|---|
| Molecular Weight | 462.12073 g/mol |
| LogP | 4.8913 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.12073 |
| Monoisotopic Mass | 462.12073 |
| Heavy Atoms | 33 |
| Complexity | 1622.2687 |
Chemical Identifiers
| CAS Number | 713085-39-3 |
|---|---|
| SMILES | CC(C)CCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)Cl)[N+](=O)[O-] |
Product Overview
AC1LREA9 (CAS 713085-39-3), with molecular formula C23H19ClN6O3 and molecular weight 462.12073 g/mol. IUPAC: 17-(4-chloro-3-nitrophenyl)-13-(3-methylbutyl)-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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