AC1NR110
2-(4-butoxyphenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
Also Known As: 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one|2-(4-butoxyphenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
| Molecular Formula | C33H28FN3O6S2 |
|---|---|
| Molecular Weight | 645.1404 g/mol |
| LogP | 7.6861 |
| Topological Polar Surface Area | 114.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 645.1404 |
| Monoisotopic Mass | 645.1404 |
| Heavy Atoms | 45 |
| Complexity | 1902.0127 |
Chemical Identifiers
| CAS Number | 7050-65-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4F)O)C(=O)C5=CC6=C(O5)C(=CC=C6)OC |
Product Overview
AC1NR110 (CAS 7050-65-9), with molecular formula C33H28FN3O6S2 and molecular weight 645.1404 g/mol. IUPAC: 2-(4-butoxyphenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one.
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