AC1N52GI

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

Also Known As: AB00675778-01|F1743-0047|2-(3-((4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione|2-[3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione|3-(3-{[4-phenyl-5-(thiophen-2-yl)-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-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

Molecular Formula	C27H20N4O2S2
Molecular Weight	496.10278 g/mol
LogP	5.9274
Topological Polar Surface Area	68.09 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	496.10278
Monoisotopic Mass	496.10278
Heavy Atoms	35
Complexity	1493.7775

Chemical Identifiers

CAS Number	690249-67-3
SMILES	C1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=CS6