N-[(3R,4R)-4-({4-[5-(3,3-Dimethyl-1-Piperidinyl)-2-Hydroxybenzoyl]Benzoyl}Amino)-3-Azepanyl]Isonicotinamide

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Properties Simple | Detailed

Formula C33H39N5O4
IUPAC Name n-[(3r,4r)-4-[[4-[5-[(1s)-3,3-dimethyl-1-piperidyl]-2-hydroxy-benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide
Molecular Mass 569.694 g·mol−1
Heat of Formation -432.5 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 692.77 Å 3
Surface Area 506.3 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(3r,4r)-4-[[4-[5-(3,3-dimethyl-1-piperidyl)-2-hydroxy-benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide
  • n-[(3r,4r)-4-[[4-[5-(3,3-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide
  • n-[4-({4-[5-(3,3-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide
InChIKey AHKNXDNYSCVWET-VSGBNLITSA-N
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