AC1N9SYC structure

AC1N9SYC

[5-(4-bromophenyl)-8-ethyl-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: 3-(4-bromophenyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate|3-(4-bromophenyl)-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate

CAS: 862199-69-7
Molecular Formula C23H19BrN4O2
Molecular Weight 462.06915 g/mol
LogP 5.4667
Topological Polar Surface Area 61.42 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 462.06915
Monoisotopic Mass 462.06915
Heavy Atoms 30
Complexity 1416.7504

Chemical Identifiers

CAS Number 862199-69-7
SMILES CCC1=NC2=C(C(=CN2C3=CC=C(C=C3)Br)OC(=O)CC)C4=NC5=CC=CC=C5N14

Product Overview

AC1N9SYC (CAS 862199-69-7), with molecular formula C23H19BrN4O2 and molecular weight 462.06915 g/mol. IUPAC: [5-(4-bromophenyl)-8-ethyl-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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