AC1METXY

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

Also Known As: CBMicro_031092|ChemDiv1_000099|MixCom6_001396|HMS587E11|CCG-3926|BIM-0031115.P001|F0741-0005|2-(3-(5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione|SR-01000388554-1|2-[3-[5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione|2-{3-[5-({2-[4-(2-hydroxyethyl)-1-piperazinyl]-2-oxoethyl}thio)-4-phenyl-4H-1,2,4-triazol-3-yl]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione|3-{3-[5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-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-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione|2-[3-[5-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione|2-[3-[5-[[2-[4-(2-hydroxyethyl)piperazino]-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-quinone|2-[3-[5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione

Molecular Formula	C31H32N6O4S
Molecular Weight	584.2206 g/mol
LogP	2.8779
Topological Polar Surface Area	111.87 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	584.2206
Monoisotopic Mass	584.2206
Heavy Atoms	42
Complexity	1565.7302

Chemical Identifiers

CAS Number	6067-36-3
SMILES	C1CN(CCN1CCO)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O