butyl 2-[[(E)-2-cyano-3-(2-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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butyl 2-[[(E)-2-cyano-3-(2-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
structure -
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CAS No:
497241-05-1
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Formula:
C23H23FN2O3S
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Chemical Name:
butyl 2-[[(E)-2-cyano-3-(2-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2334540;STL000793;AKOS022089427;497241-05-1;butyl 2-{[(2E)-2-cyano-3-(2-fluorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
butyl 2-[[(E)-2-cyano-3-(2-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
426.5 g/mol
426.14134194 g/mol
Computed Properties
Molecular Weight:426.5
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:426.14134194
Monoisotopic Mass:426.14134194
Topological Polar Surface Area:107
Heavy Atom Count:30
Complexity:704
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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