AC1MG3GS

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

Also Known As: CBKinase1_011188|CBKinase1_023588|F1743-0037|2-(3-((5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione|BRD-K03720126-001-01-2|3-(3-{[5-(4-chlorophenyl)-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-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione|2-(3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione|2-{3-[5-(p-chlorophenyl)-4H-1,2,4-triazol-3-ylthio]propyl}-2-aza-1H-phenalene-1,3(2H)-dione

Molecular Formula	C23H17ClN4O2S
Molecular Weight	448.07608 g/mol
LogP	5.0567
Topological Polar Surface Area	78.95 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	448.07608
Monoisotopic Mass	448.07608
Heavy Atoms	31
Complexity	1251.9377

Chemical Identifiers

CAS Number	690249-58-2
SMILES	C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=NNC(=N4)C5=CC=C(C=C5)Cl