butyl 2-[[(E)-2-cyano-3-[5-(2,5-dichlorophenyl)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-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
488726-33-6
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Formula:
C27H24Cl2N2O4S
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Chemical Name:
butyl 2-[[(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2338314;STK740202;AKOS002185475;ST50079761;488726-33-6;butyl 2-({(2E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;butyl 2-{(2E)-3-[5-(2,5-dichlorophenyl)(2-furyl)]-2-cyanoprop-2-enoylamino}-4, 5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
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CAS No:
butyl 2-[[(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
543.5 g/mol
542.0833838 g/mol
Computed Properties
Molecular Weight:543.5
XLogP3:8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:542.0833838
Monoisotopic Mass:542.0833838
Topological Polar Surface Area:121
Heavy Atom Count:36
Complexity:877
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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