4-methoxy-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
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![4-methoxy-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8a705815ae9d437497cd296ab854126d.png "4-methoxy-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid")
4-methoxy-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
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CAS No:
532944-18-6
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Formula:
C21H22N2O4S
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Chemical Name:
4-methoxy-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
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Synonyms:
3-[({[(2E)-3-(4-isopropylphenyl)prop-2-enoyl]amino}carbonothioyl)amino]-4-methoxybenzoic acid;4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid;MLS001196152;CHEMBL1610637;HMS2856E20;ZINC2222058;STK110704;AKOS000467271;SMR000558513;532944-18-6
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CAS No:
4-methoxy-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid Basic Attributes
398.5 g/mol
398.13002836 g/mol
Computed Properties
Molecular Weight:398.5
XLogP3:4.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:398.13002836
Monoisotopic Mass:398.13002836
Topological Polar Surface Area:120
Heavy Atom Count:28
Complexity:585
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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