(Z)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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![(Z)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/87275c53cd4743c6bcfce0be7417c70f.png "(Z)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid")
(Z)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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CAS No:
578746-16-4
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Formula:
C20H19N3O4S
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Chemical Name:
(Z)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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Synonyms:
(2Z)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid;ZINC9329380;STK134060;STL041518;AKOS005403992;AKOS005694877;(2Z)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate;578746-16-4
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CAS No:
(Z)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Basic Attributes
397.4 g/mol
397.10962727 g/mol
Computed Properties
Molecular Weight:397.4
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:397.10962727
Monoisotopic Mass:397.10962727
Topological Polar Surface Area:123
Heavy Atom Count:28
Complexity:542
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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