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Home > Encyclopedia > butyl 2-[[(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

butyl 2-[[(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

butyl 2-[[(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

butyl 2-[[(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 

structure
  • CAS No:

    489444-46-4

  • Formula:

    C27H25FN2O4S

  • Chemical Name:

    butyl 2-[[(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Synonyms:

    ZINC2276527;STL021037;AKOS002185762;ST50079758;489444-46-4;butyl 2-({(2E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;butyl 2-{(2E)-2-cyano-3-[5-(4-fluorophenyl)(2-furyl)]prop-2-enoylamino}-4,5,6, 7-tetrahydrobenzo[b]thiophene-3-carboxylate

butyl 2-[[(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes

492.6 g/mol

492.15190662 g/mol

Characteristics

121 Ų

Computed Properties

Molecular Weight:492.6
XLogP3:6.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:492.15190662
Monoisotopic Mass:492.15190662
Topological Polar Surface Area:121
Heavy Atom Count:35
Complexity:834
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of butyl 2-[[(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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