AC1LYPBL structure

AC1LYPBL

ethyl 2-[[(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate

Also Known As: (E)-ethyl 2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)-4-(p-tolyl)thiophene-3-carboxylate|2-[(E)-2-Cyano-3-(3,4-dimethoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester|ethyl 2-[(2E)-3-(3,4-dimethoxyphenyl)-2-cyanoprop-2-enoylamino]-4-(4-methylphe nyl)thiophene-3-carboxylate|ethyl 2-[[(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate|ethyl 2-{[(2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate

CAS: 373377-57-2
Molecular Formula C26H24N2O5S
Molecular Weight 476.1406 g/mol
LogP 5.4631
Topological Polar Surface Area 97.65 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 8
Exact Mass 476.1406
Monoisotopic Mass 476.1406
Heavy Atoms 34
Complexity 1269.3334

Chemical Identifiers

CAS Number 373377-57-2
SMILES CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/C#N

Product Overview

AC1LYPBL (CAS 373377-57-2), with molecular formula C26H24N2O5S and molecular weight 476.1406 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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