AC1MNNA3

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

Also Known As: F1280-0022|3-[3-(5-{[2-(4-fluorophenyl)-2-oxoethyl]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|2-[3-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione|2-(3-(5-((2-(4-fluorophenyl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione|2-(3-{5-[(p-fluorobenzoyl)methylthio]-4-phenyl-4H-1,2,4-triazol-3-yl}propyl)-2-aza-1H-phenalene-1,3(2H)-dione|2-[3-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

Molecular Formula	C31H23FN4O3S
Molecular Weight	550.14746 g/mol
LogP	5.7634
Topological Polar Surface Area	85.16 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	550.14746
Monoisotopic Mass	550.14746
Heavy Atoms	40
Complexity	1701.5575

Chemical Identifiers

CAS Number	496775-79-2
SMILES	C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O