AC1NKPRP structure

AC1NKPRP

[8-ethyl-5-(4-phenylbutan-2-yl)-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] propanoate

Also Known As: 5-ethyl-3-(4-phenylbutan-2-yl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate|5-ethyl-3-(4-phenylbutan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate

CAS: 899402-57-4
Molecular Formula C27H28N4O2
Molecular Weight 440.22122 g/mol
LogP 5.9088
Topological Polar Surface Area 61.42 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 7
Exact Mass 440.22122
Monoisotopic Mass 440.22122
Heavy Atoms 33
Complexity 1449.3654

Chemical Identifiers

CAS Number 899402-57-4
SMILES CCC1=NC2=C(C(=CN2C(C)CCC3=CC=CC=C3)OC(=O)CC)C4=NC5=CC=CC=C5N14

Product Overview

AC1NKPRP (CAS 899402-57-4), with molecular formula C27H28N4O2 and molecular weight 440.22122 g/mol. IUPAC: [8-ethyl-5-(4-phenylbutan-2-yl)-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] propanoate.

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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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