butyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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butyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
497229-17-1
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Formula:
C32H31N3O3S
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Chemical Name:
butyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2343561;STL021043;AKOS002185688;ST50079772;497229-17-1;butyl 2-{(2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoylamino}-4,5,6,7-tetrahy drobenzo[b]thiophene-3-carboxylate;butyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
butyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
537.7 g/mol
537.20861303 g/mol
Computed Properties
Molecular Weight:537.7
XLogP3:7.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:537.20861303
Monoisotopic Mass:537.20861303
Topological Polar Surface Area:112
Heavy Atom Count:39
Complexity:938
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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