methyl 2-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
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methyl 2-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
structure -
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CAS No:
379714-48-4
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Formula:
C22H25N3O3S
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Chemical Name:
methyl 2-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
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Synonyms:
379714-48-4;(E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5-dimethylthiophene-3-carboxylate;METHYL 2-[(2E)-2-CYANO-3-[4-(DIETHYLAMINO)PHENYL]PROP-2-ENAMIDO]-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE;ZINC1453453;STK949542;AKOS001030767;methyl 2-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate;ST50078090;F1305-0108;methyl 2-({(2E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate;methyl 2-{(2E)-3-[4-(diethylamino)phenyl]-2-cyanoprop-2-enoylamino}-4,5-dimeth ylthiophene-3-carboxylate
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CAS No:
methyl 2-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Basic Attributes
411.5 g/mol
411.16166284 g/mol
Computed Properties
Molecular Weight:411.5
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:411.16166284
Monoisotopic Mass:411.16166284
Topological Polar Surface Area:111
Heavy Atom Count:29
Complexity:660
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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