ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate
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![ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/19fef9a2dad94f8987bbb3bd8abee70a.png "ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate")
ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate
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CAS No:
309730-83-4
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Formula:
C17H23F3N4O4S
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Chemical Name:
ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate
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Synonyms:
C17H23F3N4O4S;STL327529;AKOS003320039;MCULE-4109005799;309730-83-4;Ethyl 2-([3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino)-2-([(dimethylamino)carbonyl]amino)-3,3,3-trifluoropropanoate #;ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate;Propanoic acid, 3,3,3-trifluoro-2-(3,3-dimethylureido)-2-(4,5,6,7-tetrahydro-3-aminocarbonyl-2-benzothienylamino)-, ethyl ester
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CAS No:
ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate Basic Attributes
436.5 g/mol
436.13921089 g/mol
Computed Properties
Molecular Weight:436.5
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:436.13921089
Monoisotopic Mass:436.13921089
Topological Polar Surface Area:142
Heavy Atom Count:29
Complexity:649
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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