2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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![2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/533ae7aa41144f80b0e15b90ddedd223.png "2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide")
2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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CAS No:
302552-86-9
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Formula:
C19H17N3O2S
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Chemical Name:
2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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Synonyms:
ZINC1807539;STK766225;AKOS001748929;MCULE-4353058529;ST051631;BIM-0035487.P001;2-((2E)-2-cyano-3-phenylprop-2-enoylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene -3-carboxamide;2-{[(2E)-2-cyano-3-phenyl-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;2-{[(2E)-2-cyano-3-phenylprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;2-{[(E)-2-cyano-3-phenyl-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;302552-86-9
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CAS No:
2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Basic Attributes
351.4 g/mol
351.10414797 g/mol
Safety Information
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:351.4
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:351.10414797
Monoisotopic Mass:351.10414797
Topological Polar Surface Area:124
Heavy Atom Count:25
Complexity:603
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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