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Home > Encyclopedia > ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate

ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate

ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate structure

ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate 

structure
  • CAS No:

    298683-76-8

  • Formula:

    C21H21F4N3O4S

  • Chemical Name:

    ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate

  • Synonyms:

    ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate

ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate Basic Attributes

487.4677528

487.119

Characteristics

139

5

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:748
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate

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