AC1NCC6X
[5-butan-2-yl-8-(2-methylpropyl)-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] 3-methylbutanoate
Also Known As: 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate|3-(sec-butyl)-5-isobutyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 3-methylbutanoate
CAS: 862245-76-9
| Molecular Formula | C25H32N4O2 |
|---|---|
| Molecular Weight | 420.25253 g/mol |
| LogP | 5.9582 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.25253 |
| Monoisotopic Mass | 420.25253 |
| Heavy Atoms | 31 |
| Complexity | 1249.0936 |
Chemical Identifiers
| CAS Number | 862245-76-9 |
|---|---|
| SMILES | CCC(C)N1C=C(C2=C1N=C(N3C2=NC4=CC=CC=C43)CC(C)C)OC(=O)CC(C)C |
Product Overview
AC1NCC6X (CAS 862245-76-9), with molecular formula C25H32N4O2 and molecular weight 420.25253 g/mol. IUPAC: [5-butan-2-yl-8-(2-methylpropyl)-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] 3-methylbutanoate.
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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