(Z)-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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![(Z)-3-(2-bromo-5-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/20220811/4ac502998ce5432db4b212f81776803e.png "(Z)-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid")
(Z)-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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CAS No:
586996-01-2
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Formula:
C20H18BrN3O4S
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Chemical Name:
(Z)-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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Synonyms:
ZINC9191509;STL052210;AKOS005705512;AKOS032386809;(2Z)-3-[4-(benzyloxy)-2-bromo-5-methoxyphenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate;586996-01-2
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CAS No:
(Z)-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Basic Attributes
476.3 g/mol
475.02014 g/mol
Computed Properties
Molecular Weight:476.3
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:475.02014
Monoisotopic Mass:475.02014
Topological Polar Surface Area:123
Heavy Atom Count:29
Complexity:576
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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