ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate
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![ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/55ac67ec068d41ca9ba4e251295fb561.png "ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate")
ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate
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CAS No:
309730-86-7
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Formula:
C21H21F4N3O4S
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Chemical Name:
ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate
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Synonyms:
STK762620;AKOS001745760;MCULE-4020250521;EU-0019021;AG-389/13595003;SR-01000529184;SR-01000529184-1;309730-86-7;Ethyl 2-([3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino)-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate #;ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate;ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate;ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-{[(3-fluorophenyl)carbonyl]amino}alaninate;Propanoic acid, 2-(4,5,6,7-tetrahydro-3-aminocarbonyl-2-benzothienylamino)-3,3,3-trifluoro-2-(3-fluorobenzoylamino)-, ethyl ester
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CAS No:
ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate Basic Attributes
487.5 g/mol
487.11888998 g/mol
Computed Properties
Molecular Weight:487.5
XLogP3:5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:487.11888998
Monoisotopic Mass:487.11888998
Topological Polar Surface Area:139
Heavy Atom Count:33
Complexity:756
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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