2-amino-4-(5-tert-butyl-2-thienyl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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2-amino-4-(5-tert-butyl-2-thienyl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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CAS No:
311793-40-5
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Formula:
C25H26ClN3OS
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Chemical Name:
2-amino-4-(5-tert-butyl-2-thienyl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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Synonyms:
2-amino-4-(5-tert-butyl-2-thienyl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile;Oprea1_392778;STK756437;AKOS001724113;MCULE-5361653080;AG-205/36868040;SR-01000517184;SR-01000517184-1;2-Amino-4-(5-(tert-butyl)thiophen-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile;2-amino-4-(5-tert-butylthiophen-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
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CAS No:
2-amino-4-(5-tert-butyl-2-thienyl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile Basic Attributes
452.019
451.148511
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:452.0
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:451.1485113
Monoisotopic Mass:451.1485113
Topological Polar Surface Area:98.4
Heavy Atom Count:31
Complexity:864
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-amino-4-(5-tert-butyl-2-thienyl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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