(3R)-3-{Cyclobutyl[3-(5-Fluoro-1H-Indol-3-Yl)Propyl]Amino}-8-Fluoro-5-Chromanecarboxamide

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Properties Simple | Detailed

Formula C25H27F2N3O2
IUPAC Name (3r)-3-[cyclobutyl-[3-(5-fluoro-2h-indol-1-ium-2-ylium-3-yl)propyl]amino]-8-fluoro-chromane-5-carboxamide
Molecular Mass 439.498 g·mol−1
Heat of Formation -462.8 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 521.27 Å 3
Surface Area 428.62 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-[cyclobutyl-[3-(5-fluoro-1h-indol-3-yl)propyl]amino]-8-fluoro-5-chromancarboxamide
  • (3r)-3-[cyclobutyl-[3-(5-fluoro-1h-indol-3-yl)propyl]amino]-8-fluoro-chroman-5-carboxamide
InChIKey PTXOOZZUDQZJHO-GOSISDBHSA-N
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