1-[3-(4-{[(2R)-4-(5-Fluoro-2-Methoxyphenyl)-2-Hydroxy-4-Methyl-2-(Trifluoromethyl)Pentyl]Amino}-6-Methyl-1H-Indazol-1-Yl)Benzoyl]-D-Prolinamide

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Properties Simple | Detailed

Formula C34H37F4N5O4
IUPAC Name (2r)-1-[3-[4-[[(2r)-4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methyl-indazol-1-ium-2-id-1-yl]benzoyl]pyrrolidine-2-carboxamide
Molecular Mass 655.682 g·mol−1
Heat of Formation -1249.2 ± 16.7 kJ·mol−1
Dipole Moment 9.04 ± 1.08 D
Volume 740.99 Å 3
Surface Area 584.46 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
InChIKey AKJCJJOQRAGWOW-ZORMNXRFSA-N
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