AC1MOTLB

2-[3-(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione

Also Known As: 3-(3-{5-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}propyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione|F1280-0010|2-[3-(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione|2-(3-(5-((2-oxo-2-phenylethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione|2-(3-{5-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

Molecular Formula	C31H24N4O3S
Molecular Weight	532.1569 g/mol
LogP	5.6243
Topological Polar Surface Area	85.16 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	532.1569
Monoisotopic Mass	532.1569
Heavy Atoms	39
Complexity	1648.8594

Chemical Identifiers

CAS Number	496775-89-4
SMILES	C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O