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Home > Encyclopedia > ethyl 2-[[(Z)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[[(Z)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[[(Z)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

ethyl 2-[[(Z)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 

structure
  • CAS No:

    348164-89-6

  • Formula:

    C21H21BrN2O3S2

  • Chemical Name:

    ethyl 2-[[(Z)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Synonyms:

    STK548213;ZINC13646720;AKOS005475885;348164-89-6;ethyl 2-({[(2Z)-3-(4-bromophenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[[(Z)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes

493.4 g/mol

492.01770 g/mol

Characteristics

128 Ų

Computed Properties

Molecular Weight:493.4
XLogP3:6.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:492.01770
Monoisotopic Mass:492.01770
Topological Polar Surface Area:128
Heavy Atom Count:29
Complexity:637
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of ethyl 2-[[(Z)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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