[5-(4-butoxyphenyl)-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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[5-(4-butoxyphenyl)-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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CAS No:
885196-11-2
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Formula:
C27H28N4O3
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Chemical Name:
[5-(4-butoxyphenyl)-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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Synonyms:
ZINC2331150;STK716076;AKOS005533230;MCULE-6065399031;3-(4-butoxyphenyl)-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate;885196-11-2
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CAS No:
[5-(4-butoxyphenyl)-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 Basic Attributes
456.5 g/mol
456.21614077 g/mol
Computed Properties
Molecular Weight:456.5
XLogP3:6.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:456.21614077
Monoisotopic Mass:456.21614077
Topological Polar Surface Area:70.6
Heavy Atom Count:34
Complexity:685
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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