AC1NRQ55 structure

AC1NRQ55

1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-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-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-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-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one

CAS: 7050-75-1
Molecular Formula C35H23Cl2N3O6S2
Molecular Weight 715.0405 g/mol
LogP 9.4672
Topological Polar Surface Area 114.99 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
Rotatable Bonds 10
Exact Mass 715.0405
Monoisotopic Mass 715.0405
Heavy Atoms 48
Complexity 2218.8298

Chemical Identifiers

CAS Number 7050-75-1
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=C(C=C(C=C7)Cl)Cl)O

Product Overview

AC1NRQ55 (CAS 7050-75-1), with molecular formula C35H23Cl2N3O6S2 and molecular weight 715.0405 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-phenoxyphenyl)-2H-pyrrol-5-one.

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