ethyl 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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ethyl 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:
301338-06-7
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Formula:
C25H21N3O6S
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Chemical Name:
ethyl 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:
ZINC1789158;STK539064;AKOS000522805;ST50236539;301338-06-7;ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 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:
ethyl 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
491.5 g/mol
491.11510657 g/mol
Computed Properties
Molecular Weight:491.5
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:491.11510657
Monoisotopic Mass:491.11510657
Topological Polar Surface Area:166
Heavy Atom Count:35
Complexity:895
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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