2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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![2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/004b47c7a0cf4d2d91d80c5a7693ad01.png "2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide")
2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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CAS No:
868154-76-1
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Formula:
C21H21N3O4S
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Chemical Name:
2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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Synonyms:
868154-76-1;(E)-2-(2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide;2-[(2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;ZINC2708577;AKOS002857436;2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;SR-01000014752;SR-01000014752-1;F1736-2037
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CAS No:
2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Basic Attributes
411.5 g/mol
411.12527733 g/mol
Computed Properties
Molecular Weight:411.5
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:411.12527733
Monoisotopic Mass:411.12527733
Topological Polar Surface Area:154
Heavy Atom Count:29
Complexity:703
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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