AC1LY8PE
ethyl 4-(13-hexyl-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl)benzoate
Also Known As: ethyl 4-(3-hexyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl)benzoate|ethyl 4-(3-hexyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate
CAS: 799786-71-3
| Molecular Formula | C27H27N5O3 |
|---|---|
| Molecular Weight | 469.2114 g/mol |
| LogP | 5.0406 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.2114 |
| Monoisotopic Mass | 469.2114 |
| Heavy Atoms | 35 |
| Complexity | 1584.6704 |
Chemical Identifiers
| CAS Number | 799786-71-3 |
|---|---|
| SMILES | CCCCCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OCC |
Product Overview
AC1LY8PE (CAS 799786-71-3), with molecular formula C27H27N5O3 and molecular weight 469.2114 g/mol. IUPAC: ethyl 4-(13-hexyl-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl)benzoate.
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.
View MSDS →
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