N-[2-(5-bromo-16-oxo-18-thia-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),10,12,14(19)-octaen-20-yl)ethyl]acetamide
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![N-[2-(5-bromo-16-oxo-18-thia-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),10,12,14(19)-octaen-20-yl)ethyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e77635fb259b4306a6820016d1e97aed.png "N-[2-(5-bromo-16-oxo-18-thia-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),10,12,14(19)-octaen-20-yl)ethyl]acetamide")
N-[2-(5-bromo-16-oxo-18-thia-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),10,12,14(19)-octaen-20-yl)ethyl]acetamide
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CAS No:
116302-28-4
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Formula:
C21H17BrN4O2S
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Chemical Name:
N-[2-(5-bromo-16-oxo-18-thia-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),10,12,14(19)-octaen-20-yl)ethyl]acetamide
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Synonyms:
116302-28-4;Shermilamine A;SCHEMBL7219209;DTXSID50921993;Acetamide, N-(2-(6-bromo-8,11,12,13-tetrahydro-12-oxopyrido(4,3,2-mn)(1,4)thiazino(3,2-b)acridin-9-yl)ethyl)-;N-[2-(6-Bromo-12-hydroxy-8,11-dihydropyrido[4,3,2-mn][1,4]thiazino[3,2-b]acridin-9-yl)ethyl]ethanimidic acid
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CAS No:
N-[2-(5-bromo-16-oxo-18-thia-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),10,12,14(19)-octaen-20-yl)ethyl]acetamide Basic Attributes
469.4 g/mol
468.02556 g/mol
Computed Properties
Molecular Weight:469.4
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:468.02556
Monoisotopic Mass:468.02556
Topological Polar Surface Area:108
Heavy Atom Count:29
Complexity:667
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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