[(11S)-6-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl]cyanamide
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![[(11S)-6-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl]cyanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4a192dd0e13b478e982bf842d97339ce.png "[(11S)-6-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl]cyanamide")
[(11S)-6-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl]cyanamide
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CAS No:
136722-78-6
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Formula:
C17H20ClN5
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Chemical Name:
[(11S)-6-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl]cyanamide
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Synonyms:
136722-78-6;Cyanamide, (9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)(1,4)benzodiazepin-2-yl)-, (S)-;Cyanamide, [9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepin-2-yl]-, (S)-;DTXSID60159902;Imidazo[4,5,1-jk][1,4]benzodiazepine, cyanamide deriv;(E)-[chloro-methyl-(3-methylbut-2-enyl)[?]ylidene]cyanamide;(5S)-9-Chloro-2-cyanoimino-1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepine
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CAS No:
[(11S)-6-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl]cyanamide Basic Attributes
329.8 g/mol
329.1407234 g/mol
DTXSID60159902
Computed Properties
Molecular Weight:329.8
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:329.1407234
Monoisotopic Mass:329.1407234
Topological Polar Surface Area:56.9
Heavy Atom Count:23
Complexity:508
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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