butyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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butyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
488825-64-5
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Formula:
C27H25N3O6S
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Chemical Name:
butyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2372548;STL021035;AKOS002185519;ST50079763;488825-64-5;butyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;butyl 2-{(2E)-2-cyano-3-[5-(3-nitrophenyl)(2-furyl)]prop-2-enoylamino}-4,5,6,7 -tetrahydrobenzo[b]thiophene-3-carboxylate
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CAS No:
butyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
519.6 g/mol
519.14640670 g/mol
Computed Properties
Molecular Weight:519.6
XLogP3:6.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:519.14640670
Monoisotopic Mass:519.14640670
Topological Polar Surface Area:166
Heavy Atom Count:37
Complexity:927
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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