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Home > Encyclopedia > propan-2-yl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

propan-2-yl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

propan-2-yl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

propan-2-yl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 

structure
  • CAS No:

    488851-97-4

  • Formula:

    C31H29N3O3S

  • Chemical Name:

    propan-2-yl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Synonyms:

    ZINC2206271;STL001193;AKOS022088280;488851-97-4;propan-2-yl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

propan-2-yl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes

523.6 g/mol

523.19296297 g/mol

Characteristics

112 Ų

Computed Properties

Molecular Weight:523.6
XLogP3:7.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:523.19296297
Monoisotopic Mass:523.19296297
Topological Polar Surface Area:112
Heavy Atom Count:38
Complexity:936
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of propan-2-yl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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