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

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

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

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

structure
  • CAS No:

    499209-78-8

  • Formula:

    C22H21FN2O3S

  • Chemical Name:

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

  • Synonyms:

    499209-78-8;(E)-isopropyl 2-(2-cyano-3-(4-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;propan-2-yl 2-[(2E)-2-cyano-3-(4-fluorophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ZINC1454087;STL021027;AKOS002185453;propan-2-yl 2-[[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ST50079737;F1589-1166;methylethyl 2-[(2E)-2-cyano-3-(4-fluorophenyl)prop-2-enoylamino]-4,5,6,7-tetra hydrobenzo[b]thiophene-3-carboxylate;propan-2-yl 2-{[(2E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

412.5 g/mol

412.12569187 g/mol

Characteristics

107 Ų

Computed Properties

Molecular Weight:412.5
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:412.12569187
Monoisotopic Mass:412.12569187
Topological Polar Surface Area:107
Heavy Atom Count:29
Complexity:693
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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