2-[5-(6-Amino-5-{(1R)-1-[5-Fluoro-2-(2H-1,2,3-Triazol-2-Yl)Phenyl]Ethoxy}-3-Pyridinyl)-4-Methyl-1,3-Thiazol-2-Yl]-2-Propanol

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Properties Simple | Detailed

Formula C22H23FN6O2S
IUPAC Name 2-[5-[6-amino-5-[(1r)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-3-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-ol
Molecular Mass 454.520 g·mol−1
Heat of Formation -4.3 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 526.97 Å 3
Surface Area 442.93 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
InChIKey ZRJMPUZTCOUGJH-CYBMUJFWSA-N
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