AC1NKPQ1
[5-(4-fluorophenyl)-8-pentyl-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] hexanoate
Also Known As: 3-(4-fluorophenyl)-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate|3-(4-fluorophenyl)-5-pentyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl hexanoate
CAS: 899397-94-5
| Molecular Formula | C29H31FN4O2 |
|---|---|
| Molecular Weight | 486.2431 g/mol |
| LogP | 7.1839 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 486.2431 |
| Monoisotopic Mass | 486.2431 |
| Heavy Atoms | 36 |
| Complexity | 1517.9547 |
Chemical Identifiers
| CAS Number | 899397-94-5 |
|---|---|
| SMILES | CCCCCC1=NC2=C(C(=CN2C3=CC=C(C=C3)F)OC(=O)CCCCC)C4=NC5=CC=CC=C5N14 |
Product Overview
AC1NKPQ1 (CAS 899397-94-5), with molecular formula C29H31FN4O2 and molecular weight 486.2431 g/mol. IUPAC: [5-(4-fluorophenyl)-8-pentyl-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] hexanoate.
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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