butyl 2-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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butyl 2-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
499211-90-4
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Formula:
C27H26N2O3S
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Chemical Name:
butyl 2-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2357168;STL021036;AKOS002185710;ST50079754;499211-90-4;butyl 2-((2E)-2-cyano-3-naphthylprop-2-enoylamino)-4,5,6,7-tetrahydrobenzo[b]t hiophene-3-carboxylate;butyl 2-{[(2E)-2-cyano-3-(naphthalen-1-yl)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-naphthalen-1-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
458.6 g/mol
458.16641387 g/mol
Computed Properties
Molecular Weight:458.6
XLogP3:7.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:458.16641387
Monoisotopic Mass:458.16641387
Topological Polar Surface Area:107
Heavy Atom Count:33
Complexity:788
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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