AC1NR1FT
1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
Also Known As: 1-(5-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one|1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
| Molecular Formula | C35H31Cl2N3O7S2 |
|---|---|
| Molecular Weight | 739.098 g/mol |
| LogP | 9.1084 |
| Topological Polar Surface Area | 124.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 739.098 |
| Monoisotopic Mass | 739.098 |
| Heavy Atoms | 49 |
| Complexity | 2077.2212 |
Chemical Identifiers
| CAS Number | 7050-76-2 |
|---|---|
| SMILES | CC(C)CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=C(C=C(C=C4)Cl)Cl)O)C(=O)C5=CC6=C(O5)C(=CC=C6)OC)OC |
Product Overview
AC1NR1FT (CAS 7050-76-2), with molecular formula C35H31Cl2N3O7S2 and molecular weight 739.098 g/mol. IUPAC: 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one.