(Z)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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![(Z)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/96fae29035cb4e0ab90cee8b10402b9d.png "(Z)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid")
(Z)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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CAS No:
768375-42-4
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Formula:
C20H18ClN3O4S
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Chemical Name:
(Z)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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Synonyms:
ZINC9458479;STL041782;STL505121;AKOS005695365;AKOS032384302;(2Z)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate;(2Z)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid;768375-42-4
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CAS No:
(Z)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Basic Attributes
431.9 g/mol
431.0706549 g/mol
Computed Properties
Molecular Weight:431.9
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:431.0706549
Monoisotopic Mass:431.0706549
Topological Polar Surface Area:123
Heavy Atom Count:29
Complexity:574
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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