(E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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![(E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fcdcb4073c014ba5bdacf5c9e737e085.png "(E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid")
(E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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CAS No:
585561-76-8
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Formula:
C17H17N3O4S
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Chemical Name:
(E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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Synonyms:
ZINC2604676;STL057668;AKOS005710313;AKOS032386309;(2E)-3-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate;585561-76-8
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CAS No:
(E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Basic Attributes
359.4 g/mol
359.09397721 g/mol
Computed Properties
Molecular Weight:359.4
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:359.09397721
Monoisotopic Mass:359.09397721
Topological Polar Surface Area:123
Heavy Atom Count:25
Complexity:533
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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