N'-[(1S,2S)-1-[(2R)-4-Benzyl-2-Piperazinyl]-3-(3,5-Difluorophenyl)-1-Hydroxy-2-Propanyl]-5-Methyl-N,N-Dipropylisophthalamide

Molecule SVG Image

Properties Simple | Detailed

Formula C35H44F2N4O3
IUPAC Name n3-[(1s,2s)-2-[(2r,4s)-4-benzylpiperazin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-5-methyl-n1,n1-dipropyl-benzene-1,3-dicarboxamide
Molecular Mass 606.746 g·mol−1
Heat of Formation -797.5 ± 16.7 kJ·mol−1
Dipole Moment 6.66 ± 1.08 D
Volume 772.23 Å 3
Surface Area 608.17 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s,2s)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2r)-4-(phenylmethyl)-2-piperazinyl]ethyl]-5-methyl-n',n'-dipropylbenzene-1,3-dicarboxamide
  • n-[(1s,2s)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2r)-4-(phenylmethyl)piperazin-2-yl]ethyl]-5-methyl-n',n'-dipropyl-benzene-1,3-dicarboxamide
  • n-[(1s,2s)-2-[(2r)-4-(benzyl)piperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxy-ethyl]-5-methyl-n',n'-dipropyl-isophthalamide
  • n-[(1s,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2r)-4-(phenylmethyl)piperazin-2-yl]propan-2-yl]-5-methyl-n',n'-dipropyl-benzene-1,3-dicarboxamide
  • n-[(1s,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2r)-4-(phenylmethyl)piperazin-2-yl]propan-2-yl]-5-methyl-n',n'-dipropylbenzene-1,3-dicarboxamide
InChIKey ZHZSBUKNHGZRTJ-DSPMFFIESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F