3-(1-{2-[(2R)-4-Benzoyl-2-(3,4-Difluorophenyl)-2-Morpholinyl]Ethyl}-4-Phenyl-4-Piperidinyl)-1,1-Dimethylurea

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Properties Simple | Detailed

Formula C33H38F2N4O3
IUPAC Name 3-[1-[2-[(2r)-4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-4-phenyl-4-piperidyl]-1,1-dimethyl-urea
Molecular Mass 576.677 g·mol−1
Heat of Formation -625.2 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 691.62 Å 3
Surface Area 538.64 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[1-[2-[(2r)-2-(3,4-difluorophenyl)-4-(oxo-phenylmethyl)-2-morpholinyl]ethyl]-4-phenyl-4-piperidinyl]-1,1-dimethylurea
  • 3-[1-[2-[(2r)-2-(3,4-difluorophenyl)-4-phenylcarbonyl-morpholin-2-yl]ethyl]-4-phenyl-piperidin-4-yl]-1,1-dimethyl-urea
  • 3-[1-[2-[(2r)-4-(benzoyl)-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-4-phenyl-4-piperidyl]-1,1-dimethyl-urea
  • 3-[1-[2-[(2r)-4-(benzoyl)-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]-1,1-dimethylurea
InChIKey QNLIUVLFRVYNCV-XIFFEERXSA-N
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