(5-octyl-8-propan-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) 2-methylpropanoate
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![(5-octyl-8-propan-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) 2-methylpropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5a0df88d666641ba9cf35bcf765354fd.png "(5-octyl-8-propan-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) 2-methylpropanoate")
(5-octyl-8-propan-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) 2-methylpropanoate
structure -
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CAS No:
885198-12-9
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Formula:
C27H36N4O2
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Chemical Name:
(5-octyl-8-propan-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) 2-methylpropanoate
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Synonyms:
ZINC2227104;STK716103;AKOS005533256;MCULE-3352559045;3-octyl-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate;885198-12-9
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CAS No:
(5-octyl-8-propan-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) 2-methylpropanoate Basic Attributes
448.6 g/mol
448.28382640 g/mol
Computed Properties
Molecular Weight:448.6
XLogP3:7.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:448.28382640
Monoisotopic Mass:448.28382640
Topological Polar Surface Area:61.4
Heavy Atom Count:33
Complexity:642
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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