(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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![(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/40f9182de13247d3a924be949e128724.png "(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid")
(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
structure -
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CAS No:
578746-86-8
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Formula:
C15H16BrN3O4S
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Chemical Name:
(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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Synonyms:
ZINC2237079;AKOS032395091;578746-86-8
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CAS No:
(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Basic Attributes
414.3 g/mol
413.00449 g/mol
Computed Properties
Molecular Weight:414.3
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:413.00449
Monoisotopic Mass:413.00449
Topological Polar Surface Area:123
Heavy Atom Count:24
Complexity:468
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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