N-[(1S,2S,4R)-4-Carbamoyl-1-(3-Fluorobenzyl)-2,7-Dihydroxy-7-Methyloctyl]Quinoxaline-2-Carboxamide

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Properties Simple | Detailed

Formula C26H31FN4O4
IUPAC Name n-[(1s,2s,4r)-4-carbamoyl-1-[(3-fluorophenyl)methyl]-2,7-dihydroxy-7-methyl-octyl]quinoxaline-2-carboxamide
Molecular Mass 482.547 g·mol−1
Heat of Formation -767.8 ± 16.7 kJ·mol−1
Dipole Moment 8.21 ± 1.08 D
Volume 586.27 Å 3
Surface Area 488.35 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • cp-481,715
  • n-[(1s,2s,4r)-4-carbamoyl-1-(3-fluorobenzyl)-2,7-dihydroxy-7-methyl-octyl]quinoxaline-2-carboxamide
  • n-[(1s,2s,4r)-4-carbamoyl-1-[(3-fluorophenyl)methyl]-2,7-dihydroxy-7-methyl-octyl]quinoxaline-2-carboxamide
  • n-[(1s,2s,4r)-4-carbamoyl-1-[(3-fluorophenyl)methyl]-2,7-dihydroxy-7-methyloctyl]-2-quinoxalinecarboxamide
  • n-[(2s,3s,5r)-5-aminocarbonyl-1-(3-fluorophenyl)-3,8-dihydroxy-8-methyl-nonan-2-yl]quinoxaline-2-carboxamide
  • n-[(2s,3s,5r)-5-carbamoyl-1-(3-fluorophenyl)-3,8-dihydroxy-8-methylnonan-2-yl]quinoxaline-2-carboxamide
InChIKey YEQJVHQCUDMXFG-FHZYATBESA-N
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