propan-2-yl 2-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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propan-2-yl 2-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
500267-87-8
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Formula:
C20H20N2O3S2
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Chemical Name:
propan-2-yl 2-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
500267-87-8;(E)-isopropyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;propan-2-yl 2-[(2E)-2-cyano-3-(thiophen-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ZINC1454091;STL021029;AKOS002185474;propan-2-yl 2-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ST50079740;F1589-1169;methylethyl 2-((2E)-2-cyano-3-(2-thienyl)prop-2-enoylamino)-4,5,6,7-tetrahydro benzo[b]thiophene-3-carboxylate;propan-2-yl 2-{[(2E)-2-cyano-3-(thiophen-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
propan-2-yl 2-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
400.5 g/mol
400.09153485 g/mol
Computed Properties
Molecular Weight:400.5
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:400.09153485
Monoisotopic Mass:400.09153485
Topological Polar Surface Area:136
Heavy Atom Count:27
Complexity:655
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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