(6S)-1-(4-{3-[(2-Methoxybenzyl)Oxy]Propoxy}Phenyl)-6-[(1,2,3,4-Tetrahydro-7-Quinolinyloxy)Methyl]-2-Piperazinone

Molecule SVG Image

Properties Simple | Detailed

Formula C31H37N3O5
IUPAC Name (6s)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yloxymethyl)piperazin-2-one
Molecular Mass 531.643 g·mol−1
Heat of Formation -516.1 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 646.48 Å 3
Surface Area 556.67 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy 3.29 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-1-[4-[3-(2-methoxybenzyl)oxypropoxy]phenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yloxymethyl)piperazin-2-one
  • (6s)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yloxymethyl)-2-piperazinone
  • (6s)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-(1,2,3,4-tetrahydroquinolin-7-yloxymethyl)piperazin-2-one
  • 1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-6-(1,2,,3,4-tetrahydro-quinolin-7-yloxymethyl)-piperazin-2-one
InChIKey JXFXZCANEQOOHW-SANMLTNESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N