AC1LUTKI
ethyl 2-[[(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-[[(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|(E)-ethyl 2-(3-(5-(2-chloro-4-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-{(2E)-3-[5-(2-chloro-4-nitrophenyl)(2-furyl)]-2-cyanoprop-2-enoylamino }-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C25H20ClN3O6S |
|---|---|
| Molecular Weight | 525.0761 g/mol |
| LogP | 6.17088 |
| Topological Polar Surface Area | 135.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.0761 |
| Monoisotopic Mass | 525.0761 |
| Heavy Atoms | 36 |
| Complexity | 1431.8811 |
Chemical Identifiers
| CAS Number | 469877-13-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)/C#N |
Product Overview
AC1LUTKI (CAS 469877-13-2), with molecular formula C25H20ClN3O6S and molecular weight 525.0761 g/mol. IUPAC: ethyl 2-[[(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.