6-Fluoro-2-(2-Hydroxy-3-{[(1S,2S)-2-Methylcyclohexyl]Oxy}Phenyl)-1H-Indole-5-Carboximidamide

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Properties Simple | Detailed

Formula C22H24FN3O2
IUPAC Name 6-fluoro-2-[2-hydroxy-3-[(1s,2s)-2-methylcyclohexoxy]phenyl]indol-1-ium-3a-ide-5-carboxamidine
Molecular Mass 381.443 g·mol−1
Heat of Formation -317.6 ± 16.7 kJ·mol−1
Dipole Moment 7.84 ± 1.08 D
Volume 452.1 Å 3
Surface Area 397.32 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 6-fluoro-2-[2-hydroxy-3-(2-methyl-cyclohexyloxy)-phenyl]-1h-indole-5-carboxamidine
  • 6-fluoro-2-[2-hydroxy-3-[(1s,2s)-2-methylcyclohexoxy]phenyl]-1h-indole-5-carboxamidine
  • 6-fluoro-2-[2-hydroxy-3-[(1s,2s)-2-methylcyclohexyl]oxy-phenyl]-1h-indole-5-carboximidamide
  • 6-fluoro-2-[2-hydroxy-3-[(1s,2s)-2-methylcyclohexyl]oxyphenyl]-1h-indole-5-carboximidamide
InChIKey HUYQYLFFFNSAAX-BUXKBTBVSA-N
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