butyl 2-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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butyl 2-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
488132-24-7
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Formula:
C25H25N3O3S
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Chemical Name:
butyl 2-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2331723;STL021041;AKOS002185665;ST50079770;488132-24-7;butyl 2-((2E)-2-cyano-3-indol-3-ylprop-2-enoylamino)-4,5,6,7-tetrahydrobenzo[b ]thiophene-3-carboxylate;butyl 2-{[(2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
butyl 2-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
447.6 g/mol
447.16166284 g/mol
Computed Properties
Molecular Weight:447.6
XLogP3:6.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:447.16166284
Monoisotopic Mass:447.16166284
Topological Polar Surface Area:123
Heavy Atom Count:32
Complexity:776
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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