N~3~-{(2S,3R)-1-(3,5-Difluorophenyl)-3-Hydroxy-4-[(3-Methoxybenzyl)Amino]-2-Butanyl}-N~1~,N~1~-Dipropyl-1,3,5-Benzenetricarboxamide

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Properties Simple | Detailed

Formula C33H40F2N4O5
IUPAC Name n5-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-n3,n3-dipropyl-benzene-1,3,5-tricarboxamide
Molecular Mass 610.691 g·mol−1
Heat of Formation -1135.7 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 752.49 Å 3
Surface Area 598.15 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • mr0
  • n1-[(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl]-n3,n3-dipropyl-benzene-1,3,5-tricarboxamide
  • n1-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-n3,n3-dipropyl-benzene-1,3,5-tricarboxamide
  • n1-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-n3,n3-dipropylbenzene-1,3,5-tricarboxamide
  • n1-[(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-n3,n3-dipropyl-benzene-1,3,5-tricarboxamide
  • n1-[(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-n3,n3-dipropylbenzene-1,3,5-tricarboxamide
InChIKey XIQAKRFMIYGAIR-XZWHSSHBSA-N
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