AC1N546W

2-[3-[[5-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione

Also Known As: F1743-0052|3-(3-{[5-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione|2-(3-((5-(3-chlorobenzo[b]thiophen-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione|2-[3-[[5-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione|2-(3-{[5-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione|2-{3-[5-(3-chloro-1-benzothiophen-2-yl)-4-(p-methoxyphenyl)-4H-1,2,4-triazol-3-ylthio]propyl}-2-aza-1H-phenalene-1,3(2H)-dione

Molecular Formula	C32H23ClN4O3S2
Molecular Weight	610.09 g/mol
LogP	7.7426
Topological Polar Surface Area	77.32 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	610.09
Monoisotopic Mass	610.09
Heavy Atoms	42
Complexity	1950.4338

Chemical Identifiers

CAS Number	690249-71-9
SMILES	COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=C(C7=CC=CC=C7S6)Cl