Mapracorat

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Properties Simple | Detailed

Formula C25H26F4N2O2
IUPAC Name (2r)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
Molecular Mass 462.480 g·mol−1
Heat of Formation -1022.7 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 517.55 Å 3
Surface Area 425.64 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-4-methyl-2-[[(2-methyl-5-quinolyl)amino]methyl]pentan-2-ol
InChIKey VJGFOYBQOIPQFY-XMMPIXPASA-N
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Elements H C N O F