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

methyl 2-[[(E)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-[[(E)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

methyl 2-[[(E)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 

structure
  • CAS No:

    1005848-89-4

  • Formula:

    C23H20N4O3S

  • Chemical Name:

    methyl 2-[[(E)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Synonyms:

    ZINC1453400;STK949506;AKOS002186781;ST50077961;F1589-0260;(E)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;1005848-89-4;methyl 2-[(2E)-2-cyano-3-(3-phenylpyrazol-4-yl)prop-2-enoylamino]-4,5,6,7-tetr ahydrobenzo[b]thiophene-3-carboxylate;methyl 2-{[(2E)-2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

432.5 g/mol

432.12561169 g/mol

Characteristics

136 Ų

Computed Properties

Molecular Weight:432.5
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:432.12561169
Monoisotopic Mass:432.12561169
Topological Polar Surface Area:136
Heavy Atom Count:31
Complexity:757
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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