2-amino-1-(4-bromophenyl)-4-(4-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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2-amino-1-(4-bromophenyl)-4-(4-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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CAS No:
311316-59-3
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Formula:
C22H19Br2N3OS
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Chemical Name:
2-amino-1-(4-bromophenyl)-4-(4-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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Synonyms:
2-amino-1-(4-bromophenyl)-4-(4-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile;2-amino-1-(4-bromophenyl)-4-(4-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile;STK672692;AKOS003809568;MCULE-5080333479;AG-205/36729015;SR-01000514378;SR-01000514378-1;2-amino-1-(4-bromophenyl)-4-(4-bromothien-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
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CAS No:
2-amino-1-(4-bromophenyl)-4-(4-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile Basic Attributes
533.286
532.95951 g/mol
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:533.3
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:532.95951
Monoisotopic Mass:530.96156
Topological Polar Surface Area:98.4
Heavy Atom Count:29
Complexity:819
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-amino-1-(4-bromophenyl)-4-(4-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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