methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
structure -
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CAS No:
469877-08-5
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Formula:
C24H18ClN3O6S
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Chemical Name:
methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC1805820;MFCD02371067;STK739946;AKOS002186847;ST50077943;469877-08-5;methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;methyl 2-{(2E)-3-[5-(4-chloro-3-nitrophenyl)(2-furyl)]-2-cyanoprop-2-enoylamin o}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
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CAS No:
methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
511.9 g/mol
511.0604842 g/mol
Computed Properties
Molecular Weight:511.9
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:511.0604842
Monoisotopic Mass:511.0604842
Topological Polar Surface Area:166
Heavy Atom Count:35
Complexity:917
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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