(5Z)-2-(4-bromophenyl)-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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![(5Z)-2-(4-bromophenyl)-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b0f12a0368f143c5baf926c7537de172.png "(5Z)-2-(4-bromophenyl)-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one")
(5Z)-2-(4-bromophenyl)-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
structure -
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CAS No:
624726-01-8
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Formula:
C25H26BrN3O3S
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Chemical Name:
(5Z)-2-(4-bromophenyl)-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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Synonyms:
624726-01-8;AKOS030519401;ZINC100923826;(Z)-2-(4-bromophenyl)-5-(4-(heptyloxy)-3-methoxybenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
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CAS No:
(5Z)-2-(4-bromophenyl)-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Basic Attributes
528.5 g/mol
527.08783 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:528.5
XLogP3:7.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:527.08783
Monoisotopic Mass:527.08783
Topological Polar Surface Area:91.5
Heavy Atom Count:33
Complexity:673
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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