AC1NNK09

methyl 4-[3-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-hydroxypropoxy]benzoate

Also Known As: MLS-0446028.0001|F1246-0052|methyl 4-(3-(4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)piperazin-1-yl)-2-hydroxypropoxy)benzoate|methyl 4-{3-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl)piperazin-1-yl]-2-hydroxypropoxy}benzoate|methyl 4-[3-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-hydroxypropoxy]benzoate|methyl p-(3-{4-[2-(1,3-dioxo-2-aza-2,3-dihydro-1H-phenalen-2-yl)ethyl]-1-piperazinyl}-2-hydroxypropoxy)benzoate

Molecular Formula	C29H31N3O6
Molecular Weight	517.2213 g/mol
LogP	2.2799
Topological Polar Surface Area	99.62 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	517.2213
Monoisotopic Mass	517.2213
Heavy Atoms	38
Complexity	1283.1478

Chemical Identifiers

CAS Number	537700-96-2
SMILES	COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O