AC1NR04L
1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
Also Known As: 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one|1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
| Molecular Formula | C35H25N3O6S2 |
|---|---|
| Molecular Weight | 647.11847 g/mol |
| LogP | 8.1604 |
| Topological Polar Surface Area | 114.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 647.11847 |
| Monoisotopic Mass | 647.11847 |
| Heavy Atoms | 46 |
| Complexity | 2091.6528 |
Chemical Identifiers
| CAS Number | 7050-45-5 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC(=CC=C4)OC5=CC=CC=C5)C6=NN=C(S6)SCC7=CC=CC=C7)O |
Product Overview
AC1NR04L (CAS 7050-45-5), with molecular formula C35H25N3O6S2 and molecular weight 647.11847 g/mol. IUPAC: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one.
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