AC1M01DA
butyl 4-[13-(3-methylbutyl)-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: butyl 4-(3-isopentyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate|butyl 4-[3-(3-methylbutyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
CAS: 845666-49-1
| Molecular Formula | C28H29N5O3 |
|---|---|
| Molecular Weight | 483.22705 g/mol |
| LogP | 5.2866 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.22705 |
| Monoisotopic Mass | 483.22705 |
| Heavy Atoms | 36 |
| Complexity | 1616.5088 |
Chemical Identifiers
| CAS Number | 845666-49-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CCC(C)C |
Product Overview
AC1M01DA (CAS 845666-49-1), with molecular formula C28H29N5O3 and molecular weight 483.22705 g/mol. IUPAC: butyl 4-[13-(3-methylbutyl)-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.
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