(Z)-3-[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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![(Z)-3-[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b451935dec654f70a9f7120cc1639711.png "(Z)-3-[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid")
(Z)-3-[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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CAS No:
840483-92-3
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Formula:
C20H15ClN4O3S
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Chemical Name:
(Z)-3-[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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Synonyms:
STL505137;ZINC13751544;AKOS030522036;(2Z)-3-{5-chloro-2-[(4-cyanobenzyl)oxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid;840483-92-3
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CAS No:
(Z)-3-[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Basic Attributes
426.9 g/mol
426.0553392 g/mol
Computed Properties
Molecular Weight:426.9
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:426.0553392
Monoisotopic Mass:426.0553392
Topological Polar Surface Area:137
Heavy Atom Count:29
Complexity:647
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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