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Home > Encyclopedia > methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 

structure
  • CAS No:

    380424-55-5

  • Formula:

    C26H30N2O5S

  • Chemical Name:

    methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Synonyms:

    380424-55-5;ZINC2347129;AKOS001023739;methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ST50077936;methyl 2-[(2E)-2-cyano-3-(3-methoxy-4-pentyloxyphenyl)prop-2-enoylamino]-4,5,6 ,7-tetrahydrobenzo[b]thiophene-3-carboxylate;Methyl 2-[(2E)-2-cyano-3-(3-methoxy-4-pentyloxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes

482.6 g/mol

482.18754324 g/mol

Characteristics

126 Ų

Computed Properties

Molecular Weight:482.6
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:482.18754324
Monoisotopic Mass:482.18754324
Topological Polar Surface Area:126
Heavy Atom Count:34
Complexity:778
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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