AC1MNRH4
[5-(4-methylphenyl)-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-(4-methylphenyl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate|5-isobutyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 3-methylbutanoate
CAS: 877804-76-7
| Molecular Formula | C28H30N4O2 |
|---|---|
| Molecular Weight | 454.23688 g/mol |
| LogP | 6.28482 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.23688 |
| Monoisotopic Mass | 454.23688 |
| Heavy Atoms | 34 |
| Complexity | 1507.0867 |
Chemical Identifiers
| CAS Number | 877804-76-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C=C(C3=C2N=C(N4C3=NC5=CC=CC=C54)CC(C)C)OC(=O)CC(C)C |
Product Overview
AC1MNRH4 (CAS 877804-76-7), with molecular formula C28H30N4O2 and molecular weight 454.23688 g/mol. IUPAC: [5-(4-methylphenyl)-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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