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Home > Encyclopedia > methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate structure

methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate 

structure
  • CAS No:

    468749-65-7

  • Formula:

    C22H16ClN3O6S

  • Chemical Name:

    methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate

  • Synonyms:

    ZINC2326175;MFCD02371068;STK952717;AKOS002186785;ST50078082;468749-65-7;methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate;methyl 2-{(2E)-3-[5-(4-chloro-3-nitrophenyl)(2-furyl)]-2-cyanoprop-2-enoylamin o}-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Basic Attributes

485.9 g/mol

485.0448341 g/mol

Characteristics

166 Ų

Computed Properties

Molecular Weight:485.9
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:485.0448341
Monoisotopic Mass:485.0448341
Topological Polar Surface Area:166
Heavy Atom Count:33
Complexity:855
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate

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