N-(1-{(3R)-3-(3,5-Difluorophenyl)-3-[1-(Methylsulfonyl)-4-Piperidinyl]Propyl}-4-Piperidinyl)-N-Ethyl-2-[4-(Methylsulfonyl)Phenyl]Acetamide

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Properties Simple | Detailed

Formula C31H43F2N3O5S2
IUPAC Name n-ethyl-n-[1-[(e,3r)-6-fluoro-4-[(e)-2-fluorovinyl]-3-(1-methylsulfonyl-4-piperidyl)hex-5-enyl]-4-piperidyl]formamide; sulfur dioxide
Molecular Mass 639.817 g·mol−1
Heat of Formation -1194.7 ± 16.7 kJ·mol−1
Dipole Moment 14.79 ± 1.08 D
Volume 747.18 Å 3
Surface Area 617.52 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • n-[1-[(3r)-3-(3,5-difluorophenyl)-3-(1-mesyl-4-piperidyl)propyl]-4-piperidyl]-n-ethyl-2-(4-mesylphenyl)acetamide
  • n-[1-[(3r)-3-(3,5-difluorophenyl)-3-(1-methylsulfonyl-4-piperidinyl)propyl]-4-piperidinyl]-n-ethyl-2-(4-methylsulfonylphenyl)acetamide
  • n-[1-[(3r)-3-(3,5-difluorophenyl)-3-(1-methylsulfonyl-4-piperidyl)propyl]-4-piperidyl]-n-ethyl-2-(4-methylsulfonylphenyl)acetamide
  • n-[1-[(3r)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-n-ethyl-2-(4-methylsulfonylphenyl)acetamide
  • n-[1-[(3r)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-n-ethyl-2-(4-methylsulfonylphenyl)ethanamide
InChIKey QOSMEMHKXNNIGG-SSEXGKCCSA-N
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