N-[(2S,3R)-3-Hydroxy-1-(Hydroxyamino)-1-Oxo-2-Butanyl]-4-{[4-(4-Morpholinylmethyl)Phenyl]Ethynyl}Benzamide

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Properties Simple | Detailed

Formula C24H27N3O5
IUPAC Name n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[2-[4-(morpholinomethyl)phenyl]ethynyl]benzamide
Molecular Mass 437.488 g·mol−1
Heat of Formation -332.4 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 525.58 Å 3
Surface Area 471.66 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[2-[4-(morpholinomethyl)phenyl]ethynyl]benzamide
  • n-[(1s,2r)-2-hydroxy-1-[(hydroxyamino)-oxomethyl]propyl]-4-[2-[4-(morpholinomethyl)phenyl]ethynyl]benzamide
  • n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxo-butan-2-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzamide
  • n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzamide
InChIKey FQYBTYFKOHPWQT-VGSWGCGISA-N
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