AC1NKCES
[5-(4-propan-2-ylphenyl)-8-propyl-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] butanoate
Also Known As: 3-(4-isopropylphenyl)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate|3-[4-(propan-2-yl)phenyl]-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate
CAS: 885174-74-3
| Molecular Formula | C28H30N4O2 |
|---|---|
| Molecular Weight | 454.23688 g/mol |
| LogP | 6.6078 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.23688 |
| Monoisotopic Mass | 454.23688 |
| Heavy Atoms | 34 |
| Complexity | 1492.501 |
Chemical Identifiers
| CAS Number | 885174-74-3 |
|---|---|
| SMILES | CCCC1=NC2=C(C(=CN2C3=CC=C(C=C3)C(C)C)OC(=O)CCC)C4=NC5=CC=CC=C5N14 |
Product Overview
AC1NKCES (CAS 885174-74-3), with molecular formula C28H30N4O2 and molecular weight 454.23688 g/mol. IUPAC: [5-(4-propan-2-ylphenyl)-8-propyl-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] butanoate.
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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