5-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-2-hydroxybenzoic acid
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![5-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-2-hydroxybenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2f6f323d39a5487bb708257833159a5d.png "5-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-2-hydroxybenzoic acid")
5-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-2-hydroxybenzoic acid
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CAS No:
378204-71-8
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Formula:
C20H13N3O5S
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Chemical Name:
5-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-2-hydroxybenzoic acid
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Synonyms:
ZINC1882634;STL052441;STL337380;AKOS005705493;AKOS022132028;378204-71-8;4-({(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-3-ium-2-yl]-2-cyanoethenyl}amino)-2-carboxyphenolate;5-({(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-2-hydroxybenzoic acid
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CAS No:
5-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-2-hydroxybenzoic acid Basic Attributes
407.4 g/mol
407.05759170 g/mol
Computed Properties
Molecular Weight:407.4
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:407.05759170
Monoisotopic Mass:407.05759170
Topological Polar Surface Area:153
Heavy Atom Count:29
Complexity:695
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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