(2R)-2-(4-Fluorophenyl)-2-[(1-{3-[5-(4H-1,2,4-Triazol-4-Yl)-1H-Indol-3-Yl]Propyl}-4-Piperidinyl)Amino]Ethanol

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Properties Simple | Detailed

Formula C26H31FN6O
IUPAC Name (2r)-2-(4-fluorophenyl)-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1h-indol-3-yl]propyl]-4-piperidyl]amino]ethanol
Molecular Mass 462.562 g·mol−1
Heat of Formation 87.5 ± 16.7 kJ·mol−1
Dipole Moment 9.85 ± 1.08 D
Volume 571.81 Å 3
Surface Area 478.87 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(4-fluorophenyl)-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1h-indol-3-yl]propyl]-4-piperidinyl]amino]ethanol
  • (2r)-2-(4-fluorophenyl)-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1h-indol-3-yl]propyl]-4-piperidyl]amino]ethanol
InChIKey HNKDAQNYMJNLCC-SANMLTNESA-N
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