AC1Q4AFF

2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone

Also Known As: MLS-0390839.0001|2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone|1-(3,4-dihydroxyphenyl)-2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazo l-3-ylthio)]ethan-1-one|1-[3,4-bis(oxidanyl)phenyl]-2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone|2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dihydroxyphenyl)ethanone|2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone|2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethan-1-one

Molecular Formula	C23H18ClN3O4S
Molecular Weight	467.07065 g/mol
LogP	4.9825
Topological Polar Surface Area	97.47 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	467.07065
Monoisotopic Mass	467.07065
Heavy Atoms	32
Complexity	1257.4841

Chemical Identifiers

CAS Number	577998-06-2
SMILES	COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)C4=CC(=C(C=C4)O)O