propan-2-yl 2-[[(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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propan-2-yl 2-[[(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
488747-35-9
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Formula:
C26H22ClN3O6S
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Chemical Name:
propan-2-yl 2-[[(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2340694;STL021021;AKOS002185643;ST50079749;488747-35-9;methylethyl 2-{(2E)-3-[5-(2-chloro-4-nitrophenyl)(2-furyl)]-2-cyanoprop-2-enoy lamino}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;propan-2-yl 2-({(2E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
propan-2-yl 2-[[(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
540.0 g/mol
539.0917843 g/mol
Computed Properties
Molecular Weight:540.0
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:539.0917843
Monoisotopic Mass:539.0917843
Topological Polar Surface Area:166
Heavy Atom Count:37
Complexity:962
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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