(Z)-3-[4-[(2-chlorophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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![(Z)-3-[4-[(2-chlorophenyl)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/20220811/5ae402c8d2cd4036952a45dfadeb6496.png "(Z)-3-[4-[(2-chlorophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid")
(Z)-3-[4-[(2-chlorophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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CAS No:
1164519-13-4
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Formula:
C19H16ClN3O3S
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Chemical Name:
(Z)-3-[4-[(2-chlorophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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Synonyms:
SMR000145547;MLS000551622;CHEMBL1326157;HMS2173D17;ZINC8667063;AKOS032386217;(Z)-3-[4-(2-Chloro-benzyloxy)-phenyl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid;1164519-13-4
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CAS No:
(Z)-3-[4-[(2-chlorophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Basic Attributes
401.9 g/mol
401.0600902 g/mol
Computed Properties
Molecular Weight:401.9
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:401.0600902
Monoisotopic Mass:401.0600902
Topological Polar Surface Area:113
Heavy Atom Count:27
Complexity:528
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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