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Home > Encyclopedia > ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate

ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate

ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate structure

ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate 

structure
  • CAS No:

    447430-41-3

  • Formula:

    C19H24F3N3O3S

  • Chemical Name:

    ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate

  • Synonyms:

    ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate

ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate Basic Attributes

431.4723696

431.149

Characteristics

120

5.5

Computed Properties

Molecular Weight:431.5
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:431.14904730
Monoisotopic Mass:431.14904730
Topological Polar Surface Area:120
Heavy Atom Count:29
Complexity:652
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate

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