7-(2-Benzoyloxy-3-(4-(o-chlorobenzyl)-1-piperazinyl)propyl)theophylline

[1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] benzoate

Also Known As: KST-1B5673|5-26-14-00060 (Beilstein Handbook Reference)|7-(2-Benzoyloxy-3-(4-(o-chlorobenzyl)-1-piperazinyl)propyl)theophylline|Theophylline, 7-(2-benzoyloxy-3-(4-(o-chlorobenzyl)-1-piperazinyl)propyl)-|[1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] benzoate|1-[4-(2-chlorobenzyl)piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)propan-2-yl benzoate|1-Piperazineethanol, 4-(o-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthinylmethyl)-, benzoate (ester)|7-(2-Benzoyloxy-3-(4-(o-chlorobenzyl)-1-piperazinyl)propyl)theophyllin e|[1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(1,3-dimethy|Theophylline, 7-[3-[4-(o-chlorobenzyl)-1-piperazinyl]-2-hydroxypropyl]-, benzoate (ester)|1-{4-[(2-Chlorophenyl)methyl]piperazin-1-yl}-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propan-2-yl benzoate|1-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propan-2-yl benzoate|3-[4-(o-Chlorobenzyl)-1-piperazinyl]-1-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propan-2-ol benzoate

Molecular Formula	C28H31ClN6O4
Molecular Weight	550.20953 g/mol
LogP	3.1
Topological Polar Surface Area	91.2 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	550.20953
Monoisotopic Mass	550.20953
Heavy Atoms	39
Complexity	880.0

Chemical Identifiers

CAS Number	56546-36-2
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CC4=CC=CC=C4Cl)OC(=O)C5=CC=CC=C5
InChIKey	LKSQOKWKUSLPLT-UHFFFAOYSA-N