(5E)-2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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![(5E)-2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/72a43e7c3c854c6c8d055c836f192cf5.png "(5E)-2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one")
(5E)-2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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CAS No:
606955-45-7
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Formula:
C21H18FN3O2S
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Chemical Name:
(5E)-2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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Synonyms:
(5E)-2-(4-butoxyphenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one;ZINC4501414;STK814082;AKOS001685949;2-(4-Butoxyphenyl)-5-(3-fluorobenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one;606955-45-7
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CAS No:
(5E)-2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Basic Attributes
395.5 g/mol
395.11037616 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:395.5
XLogP3:5.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:395.11037616
Monoisotopic Mass:395.11037616
Topological Polar Surface Area:82.3
Heavy Atom Count:28
Complexity:582
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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