(2R)-1-({4-[(4-Fluoro-2-Methyl-1H-Indol-5-Yl)Oxy]-5-Methylpyrrolo[2,1-F][1,2,4]Triazin-6-Yl}Oxy)-2-Propanol

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Properties Simple | Detailed

Formula C19H19FN4O3
IUPAC Name (2r)-1-[[5-(4-fluoro-2-methyl-indol-1-ium-5-yl)oxy-7-methyl-4-aza-1-azonia-2-azanidabicyclo[4.3.0]nona-1(9),3,5,7-tetraen-8-yl]oxy]propan-2-ol
Molecular Mass 370.378 g·mol−1
Heat of Formation -244.1 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 421.97 Å 3
Surface Area 384.9 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-1-[4-[(4-fluoro-2-methyl-1h-indol-5-yl)oxy]-5-methyl-pyrrolo[5,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
  • (2r)-1-[4-[(4-fluoro-2-methyl-1h-indol-5-yl)oxy]-5-methylpyrrolo[5,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
  • (2r)-1-[[4-[(4-fluoro-2-methyl-1h-indol-5-yl)oxy]-5-methyl-6-pyrrolo[5,1-f][1,2,4]triazinyl]oxy]propan-2-ol
InChIKey WCWUXEGQKLTGDX-LLVKDONJSA-N
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