2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
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![2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/25913ab9c7b947bfbaba9b880b1a7004.png "2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid")
2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
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CAS No:
471273-06-0
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Formula:
C20H20N2O3S
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Chemical Name:
2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
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Synonyms:
ZINC2221248;STL355602;AKOS000289202;2-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid;471273-06-0
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CAS No:
2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid Basic Attributes
368.5 g/mol
368.11946368 g/mol
Computed Properties
Molecular Weight:368.5
XLogP3:4.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:368.11946368
Monoisotopic Mass:368.11946368
Topological Polar Surface Area:111
Heavy Atom Count:26
Complexity:539
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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