AC1LML9A

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

Also Known As: BAS 02069880|AG-690/40697409|1-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]ethanone|1-(4-methoxyphenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one|1-(4-methoxyphenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone|1-(4-methoxyphenyl)-2-(4-phenyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))ethan-1- one|1-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone|1-(4-methoxyphenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone|1-[4-(methyloxy)phenyl]-2-[(4-phenyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Molecular Formula	C22H18N4O2S
Molecular Weight	402.11505 g/mol
LogP	4.3129
Topological Polar Surface Area	69.9 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	402.11505
Monoisotopic Mass	402.11505
Heavy Atoms	29
Complexity	1096.8876

Chemical Identifiers

CAS Number	433702-48-8
SMILES	COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4