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
| 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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