propan-2-yl 2-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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propan-2-yl 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:
500104-75-6
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Formula:
C26H24N2O3S
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Chemical Name:
propan-2-yl 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:
ZINC2357604;STL021026;AKOS002185454;ST50079738;500104-75-6;methylethyl 2-((2E)-2-cyano-3-naphthylprop-2-enoylamino)-4,5,6,7-tetrahydroben zo[b]thiophene-3-carboxylate;propan-2-yl 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:
propan-2-yl 2-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
444.5 g/mol
444.15076381 g/mol
Computed Properties
Molecular Weight:444.5
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:444.15076381
Monoisotopic Mass:444.15076381
Topological Polar Surface Area:107
Heavy Atom Count:32
Complexity:785
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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