AC1LJY1B
ethyl 2-[(4-cyanobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_366941|F0016-0594|AE-641/40789763|SR-01000397038-1|ETHYL 2-(4-CYANOBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|ethyl 2-[(4-cyanobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(4-cyanobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-(p-cyanobenzylamino)-1-thia-4,5,6,7-tetrahydro-3-indenecarboxylate
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10382 g/mol |
| LogP | 3.92758 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.10382 |
| Monoisotopic Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 846.78955 |
Chemical Identifiers
| CAS Number | 313662-53-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)C#N |
Product Overview
AC1LJY1B (CAS 313662-53-2), with molecular formula C19H18N2O3S and molecular weight 354.10382 g/mol. IUPAC: ethyl 2-[(4-cyanobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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